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/Faculty_memebr-3aa2ae38/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Faculty_memebr-3aa2ae38/inputs/seq.fa: 1 curr_seq: _AAAGCAAAACUAACAUGAAACAAGGCUAGAAGUCAGGUCGGAUUAAGCCAUAGUACGGAAAAAACUAUGCUACCUGUGAGCCCCGUCCAAGGACGUUAAAAGAAGUCCAACAAUGGGGGCCCAAGGCGAGAUGAAGCUGUAGUCUCGCUGGAAGGACUAGAGGUUAGAGGAGACCCCCCCGAAACAAAAAACAGCAUAUUGACGCUGGGAAAGACCAGAGAUCCUGCUGUCUCCUCAGCAUCAUUCCAGGCACAGAACGCCAGAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAGCAAAACUAACAUGAAACAAGGCUAGAAGUCAGGUCGGAUUAAGCCAUAGUACGGAAAAAACUAUGCUACCUGUGAGCCCCGUCCAAGGACGUUAAAAGAAGUCCAACAAUGGGGGCCCAAGGCGAGAUGAAGCUGUAGUCUCGCUGGAAGGACUAGAGGUUAGAGGAGACCCCCCCGAAACAAAAAACAGCAUAUUGACGCUGGGAAAGACCAGAGAUCCUGCUGUCUCCUCAGCAUCAUUCCAGGCACAGAACGCCAGAAA 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 266 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: 1335 n_atoms_counter: 1335 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 266.000000 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/Faculty_memebr-3aa2ae38/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Faculty_memebr-3aa2ae38/inputs/seq.fa: 1 curr_seq: _AAAGCAAAACUAACAUGAAACAAGGCUAGAAGUCAGGUCGGAUUAAGCCAUAGUACGGAAAAAACUAUGCUACCUGUGAGCCCCGUCCAAGGACGUUAAAAGAAGUCCAACAAUGGGGGCCCAAGGCGAGAUGAAGCUGUAGUCUCGCUGGAAGGACUAGAGGUUAGAGGAGACCCCCCCGAAACAAAAAACAGCAUAUUGACGCUGGGAAAGACCAGAGAUCCUGCUGUCUCCUCAGCAUCAUUCCAGGCACAGAACGCCAGAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAGCAAAACUAACAUGAAACAAGGCUAGAAGUCAGGUCGGAUUAAGCCAUAGUACGGAAAAAACUAUGCUACCUGUGAGCCCCGUCCAAGGACGUUAAAAGAAGUCCAACAAUGGGGGCCCAAGGCGAGAUGAAGCUGUAGUCUCGCUGGAAGGACUAGAGGUUAGAGGAGACCCCCCCGAAACAAAAAACAGCAUAUUGACGCUGGGAAAGACCAGAGAUCCUGCUGUCUCCUCAGCAUCAUUCCAGGCACAGAACGCCAGAAA 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 266 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: 1335 n_atoms_counter: 1335 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 266.000000 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/Faculty_memebr-3aa2ae38/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Faculty_memebr-3aa2ae38/inputs/seq.fa: 1 curr_seq: _AAAGCAAAACUAACAUGAAACAAGGCUAGAAGUCAGGUCGGAUUAAGCCAUAGUACGGAAAAAACUAUGCUACCUGUGAGCCCCGUCCAAGGACGUUAAAAGAAGUCCAACAAUGGGGGCCCAAGGCGAGAUGAAGCUGUAGUCUCGCUGGAAGGACUAGAGGUUAGAGGAGACCCCCCCGAAACAAAAAACAGCAUAUUGACGCUGGGAAAGACCAGAGAUCCUGCUGUCUCCUCAGCAUCAUUCCAGGCACAGAACGCCAGAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAGCAAAACUAACAUGAAACAAGGCUAGAAGUCAGGUCGGAUUAAGCCAUAGUACGGAAAAAACUAUGCUACCUGUGAGCCCCGUCCAAGGACGUUAAAAGAAGUCCAACAAUGGGGGCCCAAGGCGAGAUGAAGCUGUAGUCUCGCUGGAAGGACUAGAGGUUAGAGGAGACCCCCCCGAAACAAAAAACAGCAUAUUGACGCUGGGAAAGACCAGAGAUCCUGCUGUCUCCUCAGCAUCAUUCCAGGCACAGAACGCCAGAAA 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 266 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: 1335 n_atoms_counter: 1335 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 266.000000 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/Faculty_memebr-3aa2ae38/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Faculty_memebr-3aa2ae38/inputs/seq.fa: 1 curr_seq: _AAAGCAAAACUAACAUGAAACAAGGCUAGAAGUCAGGUCGGAUUAAGCCAUAGUACGGAAAAAACUAUGCUACCUGUGAGCCCCGUCCAAGGACGUUAAAAGAAGUCCAACAAUGGGGGCCCAAGGCGAGAUGAAGCUGUAGUCUCGCUGGAAGGACUAGAGGUUAGAGGAGACCCCCCCGAAACAAAAAACAGCAUAUUGACGCUGGGAAAGACCAGAGAUCCUGCUGUCUCCUCAGCAUCAUUCCAGGCACAGAACGCCAGAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAGCAAAACUAACAUGAAACAAGGCUAGAAGUCAGGUCGGAUUAAGCCAUAGUACGGAAAAAACUAUGCUACCUGUGAGCCCCGUCCAAGGACGUUAAAAGAAGUCCAACAAUGGGGGCCCAAGGCGAGAUGAAGCUGUAGUCUCGCUGGAAGGACUAGAGGUUAGAGGAGACCCCCCCGAAACAAAAAACAGCAUAUUGACGCUGGGAAAGACCAGAGAUCCUGCUGUCUCCUCAGCAUCAUUCCAGGCACAGAACGCCAGAAA 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 266 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: 1335 n_atoms_counter: 1335 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 266.000000 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/Faculty_memebr-3aa2ae38/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Faculty_memebr-3aa2ae38/inputs/seq.fa: 1 curr_seq: _AAAGCAAAACUAACAUGAAACAAGGCUAGAAGUCAGGUCGGAUUAAGCCAUAGUACGGAAAAAACUAUGCUACCUGUGAGCCCCGUCCAAGGACGUUAAAAGAAGUCCAACAAUGGGGGCCCAAGGCGAGAUGAAGCUGUAGUCUCGCUGGAAGGACUAGAGGUUAGAGGAGACCCCCCCGAAACAAAAAACAGCAUAUUGACGCUGGGAAAGACCAGAGAUCCUGCUGUCUCCUCAGCAUCAUUCCAGGCACAGAACGCCAGAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAGCAAAACUAACAUGAAACAAGGCUAGAAGUCAGGUCGGAUUAAGCCAUAGUACGGAAAAAACUAUGCUACCUGUGAGCCCCGUCCAAGGACGUUAAAAGAAGUCCAACAAUGGGGGCCCAAGGCGAGAUGAAGCUGUAGUCUCGCUGGAAGGACUAGAGGUUAGAGGAGACCCCCCCGAAACAAAAAACAGCAUAUUGACGCUGGGAAAGACCAGAGAUCCUGCUGUCUCCUCAGCAUCAUUCCAGGCACAGAACGCCAGAAA 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 266 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: 1335 n_atoms_counter: 1335 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 266.000000 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/Faculty_memebr-3aa2ae38/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Faculty_memebr-3aa2ae38/inputs/seq.fa: 1 curr_seq: _AAAGCAAAACUAACAUGAAACAAGGCUAGAAGUCAGGUCGGAUUAAGCCAUAGUACGGAAAAAACUAUGCUACCUGUGAGCCCCGUCCAAGGACGUUAAAAGAAGUCCAACAAUGGGGGCCCAAGGCGAGAUGAAGCUGUAGUCUCGCUGGAAGGACUAGAGGUUAGAGGAGACCCCCCCGAAACAAAAAACAGCAUAUUGACGCUGGGAAAGACCAGAGAUCCUGCUGUCUCCUCAGCAUCAUUCCAGGCACAGAACGCCAGAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAGCAAAACUAACAUGAAACAAGGCUAGAAGUCAGGUCGGAUUAAGCCAUAGUACGGAAAAAACUAUGCUACCUGUGAGCCCCGUCCAAGGACGUUAAAAGAAGUCCAACAAUGGGGGCCCAAGGCGAGAUGAAGCUGUAGUCUCGCUGGAAGGACUAGAGGUUAGAGGAGACCCCCCCGAAACAAAAAACAGCAUAUUGACGCUGGGAAAGACCAGAGAUCCUGCUGUCUCCUCAGCAUCAUUCCAGGCACAGAACGCCAGAAA 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 266 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: 1335 n_atoms_counter: 1335 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 266.000000 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/Faculty_memebr-3aa2ae38/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Faculty_memebr-3aa2ae38/inputs/seq.fa: 1 curr_seq: _AAAGCAAAACUAACAUGAAACAAGGCUAGAAGUCAGGUCGGAUUAAGCCAUAGUACGGAAAAAACUAUGCUACCUGUGAGCCCCGUCCAAGGACGUUAAAAGAAGUCCAACAAUGGGGGCCCAAGGCGAGAUGAAGCUGUAGUCUCGCUGGAAGGACUAGAGGUUAGAGGAGACCCCCCCGAAACAAAAAACAGCAUAUUGACGCUGGGAAAGACCAGAGAUCCUGCUGUCUCCUCAGCAUCAUUCCAGGCACAGAACGCCAGAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAGCAAAACUAACAUGAAACAAGGCUAGAAGUCAGGUCGGAUUAAGCCAUAGUACGGAAAAAACUAUGCUACCUGUGAGCCCCGUCCAAGGACGUUAAAAGAAGUCCAACAAUGGGGGCCCAAGGCGAGAUGAAGCUGUAGUCUCGCUGGAAGGACUAGAGGUUAGAGGAGACCCCCCCGAAACAAAAAACAGCAUAUUGACGCUGGGAAAGACCAGAGAUCCUGCUGUCUCCUCAGCAUCAUUCCAGGCACAGAACGCCAGAAA 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 266 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: 1335 n_atoms_counter: 1335 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 266.000000 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/Faculty_memebr-3aa2ae38/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Faculty_memebr-3aa2ae38/inputs/seq.fa: 1 curr_seq: _AAAGCAAAACUAACAUGAAACAAGGCUAGAAGUCAGGUCGGAUUAAGCCAUAGUACGGAAAAAACUAUGCUACCUGUGAGCCCCGUCCAAGGACGUUAAAAGAAGUCCAACAAUGGGGGCCCAAGGCGAGAUGAAGCUGUAGUCUCGCUGGAAGGACUAGAGGUUAGAGGAGACCCCCCCGAAACAAAAAACAGCAUAUUGACGCUGGGAAAGACCAGAGAUCCUGCUGUCUCCUCAGCAUCAUUCCAGGCACAGAACGCCAGAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAGCAAAACUAACAUGAAACAAGGCUAGAAGUCAGGUCGGAUUAAGCCAUAGUACGGAAAAAACUAUGCUACCUGUGAGCCCCGUCCAAGGACGUUAAAAGAAGUCCAACAAUGGGGGCCCAAGGCGAGAUGAAGCUGUAGUCUCGCUGGAAGGACUAGAGGUUAGAGGAGACCCCCCCGAAACAAAAAACAGCAUAUUGACGCUGGGAAAGACCAGAGAUCCUGCUGUCUCCUCAGCAUCAUUCCAGGCACAGAACGCCAGAAA 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 266 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: 1335 n_atoms_counter: 1335 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 266.000000 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/Faculty_memebr-3aa2ae38/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Faculty_memebr-3aa2ae38/inputs/seq.fa: 1 curr_seq: _AAAGCAAAACUAACAUGAAACAAGGCUAGAAGUCAGGUCGGAUUAAGCCAUAGUACGGAAAAAACUAUGCUACCUGUGAGCCCCGUCCAAGGACGUUAAAAGAAGUCCAACAAUGGGGGCCCAAGGCGAGAUGAAGCUGUAGUCUCGCUGGAAGGACUAGAGGUUAGAGGAGACCCCCCCGAAACAAAAAACAGCAUAUUGACGCUGGGAAAGACCAGAGAUCCUGCUGUCUCCUCAGCAUCAUUCCAGGCACAGAACGCCAGAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAGCAAAACUAACAUGAAACAAGGCUAGAAGUCAGGUCGGAUUAAGCCAUAGUACGGAAAAAACUAUGCUACCUGUGAGCCCCGUCCAAGGACGUUAAAAGAAGUCCAACAAUGGGGGCCCAAGGCGAGAUGAAGCUGUAGUCUCGCUGGAAGGACUAGAGGUUAGAGGAGACCCCCCCGAAACAAAAAACAGCAUAUUGACGCUGGGAAAGACCAGAGAUCCUGCUGUCUCCUCAGCAUCAUUCCAGGCACAGAACGCCAGAAA 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 266 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: 1335 n_atoms_counter: 1335 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 266.000000 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/Faculty_memebr-3aa2ae38/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Faculty_memebr-3aa2ae38/inputs/seq.fa: 1 curr_seq: _AAAGCAAAACUAACAUGAAACAAGGCUAGAAGUCAGGUCGGAUUAAGCCAUAGUACGGAAAAAACUAUGCUACCUGUGAGCCCCGUCCAAGGACGUUAAAAGAAGUCCAACAAUGGGGGCCCAAGGCGAGAUGAAGCUGUAGUCUCGCUGGAAGGACUAGAGGUUAGAGGAGACCCCCCCGAAACAAAAAACAGCAUAUUGACGCUGGGAAAGACCAGAGAUCCUGCUGUCUCCUCAGCAUCAUUCCAGGCACAGAACGCCAGAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAGCAAAACUAACAUGAAACAAGGCUAGAAGUCAGGUCGGAUUAAGCCAUAGUACGGAAAAAACUAUGCUACCUGUGAGCCCCGUCCAAGGACGUUAAAAGAAGUCCAACAAUGGGGGCCCAAGGCGAGAUGAAGCUGUAGUCUCGCUGGAAGGACUAGAGGUUAGAGGAGACCCCCCCGAAACAAAAAACAGCAUAUUGACGCUGGGAAAGACCAGAGAUCCUGCUGUCUCCUCAGCAUCAUUCCAGGCACAGAACGCCAGAAA 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 266 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: 1335 n_atoms_counter: 1335 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 266.000000 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: -1067.356553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.356553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.356553 (E_RNA) where: Base-Base interactions energy: -32.168 where: short stacking energy: -32.168 Base-Backbone interact. energy: -0.000 local terms energy: -1035.188785 where: bonds (distance) C4'-P energy: -258.440 bonds (distance) P-C4' energy: -238.872 flat angles C4'-P-C4' energy: -195.304 flat angles P-C4'-P energy: -223.407 tors. eta vs tors. theta energy: -119.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -1067.356553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.356553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.356553 (E_RNA) where: Base-Base interactions energy: -32.168 where: short stacking energy: -32.168 Base-Backbone interact. energy: -0.000 local terms energy: -1035.188785 where: bonds (distance) C4'-P energy: -258.440 bonds (distance) P-C4' energy: -238.872 flat angles C4'-P-C4' energy: -195.304 flat angles P-C4'-P energy: -223.407 tors. eta vs tors. theta energy: -119.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -1067.356553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.356553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.356553 (E_RNA) where: Base-Base interactions energy: -32.168 where: short stacking energy: -32.168 Base-Backbone interact. energy: -0.000 local terms energy: -1035.188785 where: bonds (distance) C4'-P energy: -258.440 bonds (distance) P-C4' energy: -238.872 flat angles C4'-P-C4' energy: -195.304 flat angles P-C4'-P energy: -223.407 tors. eta vs tors. theta energy: -119.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -1067.356553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.356553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.356553 (E_RNA) where: Base-Base interactions energy: -32.168 where: short stacking energy: -32.168 Base-Backbone interact. energy: -0.000 local terms energy: -1035.188785 where: bonds (distance) C4'-P energy: -258.440 bonds (distance) P-C4' energy: -238.872 flat angles C4'-P-C4' energy: -195.304 flat angles P-C4'-P energy: -223.407 tors. eta vs tors. theta energy: -119.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -1067.356553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.356553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.356553 (E_RNA) where: Base-Base interactions energy: -32.168 where: short stacking energy: -32.168 Base-Backbone interact. energy: -0.000 local terms energy: -1035.188785 where: bonds (distance) C4'-P energy: -258.440 bonds (distance) P-C4' energy: -238.872 flat angles C4'-P-C4' energy: -195.304 flat angles P-C4'-P energy: -223.407 tors. eta vs tors. theta energy: -119.166 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: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -1067.356553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.356553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.356553 (E_RNA) where: Base-Base interactions energy: -32.168 where: short stacking energy: -32.168 Base-Backbone interact. energy: -0.000 local terms energy: -1035.188785 where: bonds (distance) C4'-P energy: -258.440 bonds (distance) P-C4' energy: -238.872 flat angles C4'-P-C4' energy: -195.304 flat angles P-C4'-P energy: -223.407 tors. eta vs tors. theta energy: -119.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -1067.356553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.356553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.356553 (E_RNA) where: Base-Base interactions energy: -32.168 where: short stacking energy: -32.168 Base-Backbone interact. energy: -0.000 local terms energy: -1035.188785 where: bonds (distance) C4'-P energy: -258.440 bonds (distance) P-C4' energy: -238.872 flat angles C4'-P-C4' energy: -195.304 flat angles P-C4'-P energy: -223.407 tors. eta vs tors. theta energy: -119.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -1067.356553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.356553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.356553 (E_RNA) where: Base-Base interactions energy: -32.168 where: short stacking energy: -32.168 Base-Backbone interact. energy: -0.000 local terms energy: -1035.188785 where: bonds (distance) C4'-P energy: -258.440 bonds (distance) P-C4' energy: -238.872 flat angles C4'-P-C4' energy: -195.304 flat angles P-C4'-P energy: -223.407 tors. eta vs tors. theta energy: -119.166 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: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -1067.356553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.356553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.356553 (E_RNA) where: Base-Base interactions energy: -32.168 where: short stacking energy: -32.168 Base-Backbone interact. energy: -0.000 local terms energy: -1035.188785 where: bonds (distance) C4'-P energy: -258.440 bonds (distance) P-C4' energy: -238.872 flat angles C4'-P-C4' energy: -195.304 flat angles P-C4'-P energy: -223.407 tors. eta vs tors. theta energy: -119.166 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: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -1067.356553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.356553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.356553 (E_RNA) where: Base-Base interactions energy: -32.168 where: short stacking energy: -32.168 Base-Backbone interact. energy: -0.000 local terms energy: -1035.188785 where: bonds (distance) C4'-P energy: -258.440 bonds (distance) P-C4' energy: -238.872 flat angles C4'-P-C4' energy: -195.304 flat angles P-C4'-P energy: -223.407 tors. eta vs tors. theta energy: -119.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -1271.582715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.582715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.582715 (E_RNA) where: Base-Base interactions energy: -522.943 where: short stacking energy: -521.121 Base-Backbone interact. energy: -0.722 local terms energy: -747.918169 where: bonds (distance) C4'-P energy: -174.246 bonds (distance) P-C4' energy: -167.916 flat angles C4'-P-C4' energy: -178.524 flat angles P-C4'-P energy: -114.335 tors. eta vs tors. theta energy: -112.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -1211.664652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.664652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.664652 (E_RNA) where: Base-Base interactions energy: -491.001 where: short stacking energy: -487.891 Base-Backbone interact. energy: -0.246 local terms energy: -720.417796 where: bonds (distance) C4'-P energy: -154.669 bonds (distance) P-C4' energy: -178.592 flat angles C4'-P-C4' energy: -158.181 flat angles P-C4'-P energy: -102.300 tors. eta vs tors. theta energy: -126.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -1106.310909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.310909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.310909 (E_RNA) where: Base-Base interactions energy: -439.572 where: short stacking energy: -431.641 Base-Backbone interact. energy: -0.578 local terms energy: -666.161724 where: bonds (distance) C4'-P energy: -140.197 bonds (distance) P-C4' energy: -174.829 flat angles C4'-P-C4' energy: -148.501 flat angles P-C4'-P energy: -89.692 tors. eta vs tors. theta energy: -112.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -1094.069816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.069816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.069816 (E_RNA) where: Base-Base interactions energy: -455.002 where: short stacking energy: -448.691 Base-Backbone interact. energy: -0.152 local terms energy: -638.915196 where: bonds (distance) C4'-P energy: -149.546 bonds (distance) P-C4' energy: -152.975 flat angles C4'-P-C4' energy: -159.480 flat angles P-C4'-P energy: -75.570 tors. eta vs tors. theta energy: -101.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -1073.985573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.985573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.985573 (E_RNA) where: Base-Base interactions energy: -68.450 where: short stacking energy: -68.450 Base-Backbone interact. energy: -0.000 local terms energy: -1005.535521 where: bonds (distance) C4'-P energy: -232.869 bonds (distance) P-C4' energy: -229.212 flat angles C4'-P-C4' energy: -196.583 flat angles P-C4'-P energy: -218.952 tors. eta vs tors. theta energy: -127.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -1075.524329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.524329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.524329 (E_RNA) where: Base-Base interactions energy: -100.979 where: short stacking energy: -100.979 Base-Backbone interact. energy: -0.000 local terms energy: -974.545393 where: bonds (distance) C4'-P energy: -222.666 bonds (distance) P-C4' energy: -215.728 flat angles C4'-P-C4' energy: -195.829 flat angles P-C4'-P energy: -211.469 tors. eta vs tors. theta energy: -128.854 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -1077.614399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.614399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.614399 (E_RNA) where: Base-Base interactions energy: -67.885 where: short stacking energy: -67.885 Base-Backbone interact. energy: -0.000 local terms energy: -1009.728969 where: bonds (distance) C4'-P energy: -242.387 bonds (distance) P-C4' energy: -226.990 flat angles C4'-P-C4' energy: -194.828 flat angles P-C4'-P energy: -220.663 tors. eta vs tors. theta energy: -124.861 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: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -1073.753860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.753860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.753860 (E_RNA) where: Base-Base interactions energy: -57.956 where: short stacking energy: -57.956 Base-Backbone interact. energy: -0.000 local terms energy: -1015.797355 where: bonds (distance) C4'-P energy: -249.416 bonds (distance) P-C4' energy: -229.893 flat angles C4'-P-C4' energy: -194.199 flat angles P-C4'-P energy: -220.393 tors. eta vs tors. theta energy: -121.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -1067.413819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.413819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.413819 (E_RNA) where: Base-Base interactions energy: -32.394 where: short stacking energy: -32.394 Base-Backbone interact. energy: -0.000 local terms energy: -1035.019698 where: bonds (distance) C4'-P energy: -258.324 bonds (distance) P-C4' energy: -238.865 flat angles C4'-P-C4' energy: -195.251 flat angles P-C4'-P energy: -223.285 tors. eta vs tors. theta energy: -119.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -1067.413799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.413799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.413799 (E_RNA) where: Base-Base interactions energy: -32.394 where: short stacking energy: -32.394 Base-Backbone interact. energy: -0.000 local terms energy: -1035.019698 where: bonds (distance) C4'-P energy: -258.324 bonds (distance) P-C4' energy: -238.865 flat angles C4'-P-C4' energy: -195.251 flat angles P-C4'-P energy: -223.285 tors. eta vs tors. theta energy: -119.294 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: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1304.877532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.877532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.877532 (E_RNA) where: Base-Base interactions energy: -555.819 where: short stacking energy: -547.957 Base-Backbone interact. energy: -0.336 local terms energy: -748.722437 where: bonds (distance) C4'-P energy: -181.016 bonds (distance) P-C4' energy: -159.079 flat angles C4'-P-C4' energy: -163.706 flat angles P-C4'-P energy: -120.279 tors. eta vs tors. theta energy: -124.643 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: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1235.924635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.924635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.924635 (E_RNA) where: Base-Base interactions energy: -514.229 where: short stacking energy: -513.906 Base-Backbone interact. energy: 0.080 local terms energy: -721.775432 where: bonds (distance) C4'-P energy: -170.945 bonds (distance) P-C4' energy: -147.720 flat angles C4'-P-C4' energy: -168.557 flat angles P-C4'-P energy: -103.690 tors. eta vs tors. theta energy: -130.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -1141.405409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.405409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.405409 (E_RNA) where: Base-Base interactions energy: -451.576 where: short stacking energy: -441.556 Base-Backbone interact. energy: -0.033 local terms energy: -689.796723 where: bonds (distance) C4'-P energy: -170.193 bonds (distance) P-C4' energy: -170.185 flat angles C4'-P-C4' energy: -168.842 flat angles P-C4'-P energy: -88.254 tors. eta vs tors. theta energy: -92.323 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: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -1084.939852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.939852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.939852 (E_RNA) where: Base-Base interactions energy: -429.705 where: short stacking energy: -413.896 Base-Backbone interact. energy: 0.053 local terms energy: -655.287419 where: bonds (distance) C4'-P energy: -146.818 bonds (distance) P-C4' energy: -167.541 flat angles C4'-P-C4' energy: -150.925 flat angles P-C4'-P energy: -93.160 tors. eta vs tors. theta energy: -96.843 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: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -958.041995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.041995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.041995 (E_RNA) where: Base-Base interactions energy: -353.703 where: short stacking energy: -339.046 Base-Backbone interact. energy: -0.965 local terms energy: -603.373749 where: bonds (distance) C4'-P energy: -140.185 bonds (distance) P-C4' energy: -183.081 flat angles C4'-P-C4' energy: -118.872 flat angles P-C4'-P energy: -87.002 tors. eta vs tors. theta energy: -74.234 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: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -899.708302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.708302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.708302 (E_RNA) where: Base-Base interactions energy: -357.057 where: short stacking energy: -348.049 Base-Backbone interact. energy: -0.784 local terms energy: -541.866771 where: bonds (distance) C4'-P energy: -130.226 bonds (distance) P-C4' energy: -150.529 flat angles C4'-P-C4' energy: -136.293 flat angles P-C4'-P energy: -86.603 tors. eta vs tors. theta energy: -38.215 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: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -795.965530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.965530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.965530 (E_RNA) where: Base-Base interactions energy: -308.914 where: short stacking energy: -236.249 Base-Backbone interact. energy: -0.736 local terms energy: -486.315641 where: bonds (distance) C4'-P energy: -147.369 bonds (distance) P-C4' energy: -157.284 flat angles C4'-P-C4' energy: -105.196 flat angles P-C4'-P energy: -65.868 tors. eta vs tors. theta energy: -10.599 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: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -738.822789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.822789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.822789 (E_RNA) where: Base-Base interactions energy: -249.902 where: short stacking energy: -245.004 Base-Backbone interact. energy: -1.705 local terms energy: -487.215593 where: bonds (distance) C4'-P energy: -134.399 bonds (distance) P-C4' energy: -136.864 flat angles C4'-P-C4' energy: -126.446 flat angles P-C4'-P energy: -60.854 tors. eta vs tors. theta energy: -28.652 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: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -683.104452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.104452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.104452 (E_RNA) where: Base-Base interactions energy: -226.428 where: short stacking energy: -201.507 Base-Backbone interact. energy: 1.858 local terms energy: -458.535041 where: bonds (distance) C4'-P energy: -141.107 bonds (distance) P-C4' energy: -138.654 flat angles C4'-P-C4' energy: -129.437 flat angles P-C4'-P energy: -54.330 tors. eta vs tors. theta energy: 4.993 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: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -624.032957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.032957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.032957 (E_RNA) where: Base-Base interactions energy: -205.493 where: short stacking energy: -180.144 Base-Backbone interact. energy: 1.621 local terms energy: -420.161009 where: bonds (distance) C4'-P energy: -112.468 bonds (distance) P-C4' energy: -155.946 flat angles C4'-P-C4' energy: -108.750 flat angles P-C4'-P energy: -58.664 tors. eta vs tors. theta energy: 15.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1337.049768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.049768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.049768 (E_RNA) where: Base-Base interactions energy: -579.720 where: short stacking energy: -567.109 Base-Backbone interact. energy: 1.891 local terms energy: -759.220422 where: bonds (distance) C4'-P energy: -163.620 bonds (distance) P-C4' energy: -177.631 flat angles C4'-P-C4' energy: -170.544 flat angles P-C4'-P energy: -104.325 tors. eta vs tors. theta energy: -143.099 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: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1226.869587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.869587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.869587 (E_RNA) where: Base-Base interactions energy: -543.579 where: short stacking energy: -514.755 Base-Backbone interact. energy: -1.224 local terms energy: -682.067185 where: bonds (distance) C4'-P energy: -159.747 bonds (distance) P-C4' energy: -156.226 flat angles C4'-P-C4' energy: -164.090 flat angles P-C4'-P energy: -101.811 tors. eta vs tors. theta energy: -100.193 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: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -1204.503893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.503893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.503893 (E_RNA) where: Base-Base interactions energy: -512.521 where: short stacking energy: -501.310 Base-Backbone interact. energy: -0.512 local terms energy: -691.471236 where: bonds (distance) C4'-P energy: -147.045 bonds (distance) P-C4' energy: -169.452 flat angles C4'-P-C4' energy: -160.507 flat angles P-C4'-P energy: -93.887 tors. eta vs tors. theta energy: -120.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -1078.129985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.129985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.129985 (E_RNA) where: Base-Base interactions energy: -448.628 where: short stacking energy: -396.013 Base-Backbone interact. energy: 0.817 local terms energy: -630.318669 where: bonds (distance) C4'-P energy: -147.781 bonds (distance) P-C4' energy: -143.072 flat angles C4'-P-C4' energy: -152.823 flat angles P-C4'-P energy: -92.948 tors. eta vs tors. theta energy: -93.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -967.981450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.981450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.981450 (E_RNA) where: Base-Base interactions energy: -399.256 where: short stacking energy: -360.627 Base-Backbone interact. energy: 0.901 local terms energy: -569.626071 where: bonds (distance) C4'-P energy: -147.935 bonds (distance) P-C4' energy: -156.446 flat angles C4'-P-C4' energy: -135.931 flat angles P-C4'-P energy: -92.464 tors. eta vs tors. theta energy: -36.850 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: 6, replica: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -869.083776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.083776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.083776 (E_RNA) where: Base-Base interactions energy: -316.831 where: short stacking energy: -308.317 Base-Backbone interact. energy: -0.689 local terms energy: -551.563805 where: bonds (distance) C4'-P energy: -139.141 bonds (distance) P-C4' energy: -151.810 flat angles C4'-P-C4' energy: -137.537 flat angles P-C4'-P energy: -62.093 tors. eta vs tors. theta energy: -60.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -799.900452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.900452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.900452 (E_RNA) where: Base-Base interactions energy: -307.414 where: short stacking energy: -242.278 Base-Backbone interact. energy: -0.235 local terms energy: -492.251871 where: bonds (distance) C4'-P energy: -130.605 bonds (distance) P-C4' energy: -154.404 flat angles C4'-P-C4' energy: -120.889 flat angles P-C4'-P energy: -73.997 tors. eta vs tors. theta energy: -12.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -727.594821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.594821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.594821 (E_RNA) where: Base-Base interactions energy: -232.015 where: short stacking energy: -208.825 Base-Backbone interact. energy: -0.746 local terms energy: -494.833437 where: bonds (distance) C4'-P energy: -135.542 bonds (distance) P-C4' energy: -165.314 flat angles C4'-P-C4' energy: -111.173 flat angles P-C4'-P energy: -82.405 tors. eta vs tors. theta energy: -0.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -689.061252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.061252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.061252 (E_RNA) where: Base-Base interactions energy: -239.330 where: short stacking energy: -192.508 Base-Backbone interact. energy: 8.532 local terms energy: -458.263614 where: bonds (distance) C4'-P energy: -146.031 bonds (distance) P-C4' energy: -139.365 flat angles C4'-P-C4' energy: -117.001 flat angles P-C4'-P energy: -59.056 tors. eta vs tors. theta energy: 3.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -620.888476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.888476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.888476 (E_RNA) where: Base-Base interactions energy: -226.484 where: short stacking energy: -187.830 Base-Backbone interact. energy: -0.986 local terms energy: -393.417689 where: bonds (distance) C4'-P energy: -124.031 bonds (distance) P-C4' energy: -136.731 flat angles C4'-P-C4' energy: -100.468 flat angles P-C4'-P energy: -58.407 tors. eta vs tors. theta energy: 26.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1376.914575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.914575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.914575 (E_RNA) where: Base-Base interactions energy: -618.856 where: short stacking energy: -549.681 Base-Backbone interact. energy: -0.951 local terms energy: -757.107270 where: bonds (distance) C4'-P energy: -167.467 bonds (distance) P-C4' energy: -168.179 flat angles C4'-P-C4' energy: -163.585 flat angles P-C4'-P energy: -118.366 tors. eta vs tors. theta energy: -139.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1312.972250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.972250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.972250 (E_RNA) where: Base-Base interactions energy: -614.014 where: short stacking energy: -541.946 Base-Backbone interact. energy: 0.792 local terms energy: -699.750501 where: bonds (distance) C4'-P energy: -162.073 bonds (distance) P-C4' energy: -176.940 flat angles C4'-P-C4' energy: -153.121 flat angles P-C4'-P energy: -83.443 tors. eta vs tors. theta energy: -124.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -1177.535490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.535490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.535490 (E_RNA) where: Base-Base interactions energy: -495.762 where: short stacking energy: -452.384 Base-Backbone interact. energy: 3.249 local terms energy: -685.022790 where: bonds (distance) C4'-P energy: -171.222 bonds (distance) P-C4' energy: -178.488 flat angles C4'-P-C4' energy: -162.296 flat angles P-C4'-P energy: -98.830 tors. eta vs tors. theta energy: -74.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -1053.527096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.527096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.527096 (E_RNA) where: Base-Base interactions energy: -450.821 where: short stacking energy: -404.552 Base-Backbone interact. energy: 0.882 local terms energy: -603.588372 where: bonds (distance) C4'-P energy: -150.670 bonds (distance) P-C4' energy: -167.937 flat angles C4'-P-C4' energy: -134.075 flat angles P-C4'-P energy: -87.066 tors. eta vs tors. theta energy: -63.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -970.977274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.977274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.977274 (E_RNA) where: Base-Base interactions energy: -340.828 where: short stacking energy: -306.220 Base-Backbone interact. energy: -1.387 local terms energy: -628.761323 where: bonds (distance) C4'-P energy: -152.519 bonds (distance) P-C4' energy: -162.261 flat angles C4'-P-C4' energy: -158.021 flat angles P-C4'-P energy: -96.029 tors. eta vs tors. theta energy: -59.932 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: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -899.898763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.898763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.898763 (E_RNA) where: Base-Base interactions energy: -369.756 where: short stacking energy: -320.194 Base-Backbone interact. energy: 1.001 local terms energy: -531.143482 where: bonds (distance) C4'-P energy: -132.569 bonds (distance) P-C4' energy: -152.213 flat angles C4'-P-C4' energy: -133.582 flat angles P-C4'-P energy: -69.035 tors. eta vs tors. theta energy: -43.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -814.556251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.556251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.556251 (E_RNA) where: Base-Base interactions energy: -313.567 where: short stacking energy: -244.608 Base-Backbone interact. energy: 4.499 local terms energy: -505.488491 where: bonds (distance) C4'-P energy: -123.485 bonds (distance) P-C4' energy: -162.050 flat angles C4'-P-C4' energy: -126.035 flat angles P-C4'-P energy: -77.082 tors. eta vs tors. theta energy: -16.836 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: 9 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -746.722514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.722514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.722514 (E_RNA) where: Base-Base interactions energy: -257.591 where: short stacking energy: -232.664 Base-Backbone interact. energy: -0.792 local terms energy: -488.339434 where: bonds (distance) C4'-P energy: -134.063 bonds (distance) P-C4' energy: -133.567 flat angles C4'-P-C4' energy: -125.149 flat angles P-C4'-P energy: -77.798 tors. eta vs tors. theta energy: -17.762 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: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -735.303037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.303037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.303037 (E_RNA) where: Base-Base interactions energy: -280.900 where: short stacking energy: -219.465 Base-Backbone interact. energy: -3.459 local terms energy: -450.944237 where: bonds (distance) C4'-P energy: -108.221 bonds (distance) P-C4' energy: -129.982 flat angles C4'-P-C4' energy: -105.451 flat angles P-C4'-P energy: -99.621 tors. eta vs tors. theta energy: -7.669 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: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -669.789923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.789923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.789923 (E_RNA) where: Base-Base interactions energy: -218.923 where: short stacking energy: -206.856 Base-Backbone interact. energy: 0.334 local terms energy: -451.201605 where: bonds (distance) C4'-P energy: -128.217 bonds (distance) P-C4' energy: -162.202 flat angles C4'-P-C4' energy: -100.009 flat angles P-C4'-P energy: -55.686 tors. eta vs tors. theta energy: -5.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1410.170062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.170062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.170062 (E_RNA) where: Base-Base interactions energy: -638.526 where: short stacking energy: -588.275 Base-Backbone interact. energy: 0.310 local terms energy: -771.954579 where: bonds (distance) C4'-P energy: -157.667 bonds (distance) P-C4' energy: -172.876 flat angles C4'-P-C4' energy: -183.063 flat angles P-C4'-P energy: -108.710 tors. eta vs tors. theta energy: -149.639 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: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1353.278948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.278948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.278948 (E_RNA) where: Base-Base interactions energy: -646.483 where: short stacking energy: -467.886 Base-Backbone interact. energy: 0.111 local terms energy: -706.907097 where: bonds (distance) C4'-P energy: -145.620 bonds (distance) P-C4' energy: -163.535 flat angles C4'-P-C4' energy: -169.848 flat angles P-C4'-P energy: -117.707 tors. eta vs tors. theta energy: -110.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1194.130225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.130225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.130225 (E_RNA) where: Base-Base interactions energy: -518.488 where: short stacking energy: -468.726 Base-Backbone interact. energy: -2.098 local terms energy: -673.544053 where: bonds (distance) C4'-P energy: -160.158 bonds (distance) P-C4' energy: -159.721 flat angles C4'-P-C4' energy: -147.893 flat angles P-C4'-P energy: -100.723 tors. eta vs tors. theta energy: -105.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -1091.135606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.135606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.135606 (E_RNA) where: Base-Base interactions energy: -495.543 where: short stacking energy: -421.457 Base-Backbone interact. energy: 3.265 local terms energy: -598.857603 where: bonds (distance) C4'-P energy: -141.779 bonds (distance) P-C4' energy: -161.497 flat angles C4'-P-C4' energy: -146.202 flat angles P-C4'-P energy: -88.057 tors. eta vs tors. theta energy: -61.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -1013.973963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.973963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.973963 (E_RNA) where: Base-Base interactions energy: -446.344 where: short stacking energy: -351.001 Base-Backbone interact. energy: -1.728 local terms energy: -565.902408 where: bonds (distance) C4'-P energy: -136.780 bonds (distance) P-C4' energy: -171.045 flat angles C4'-P-C4' energy: -143.281 flat angles P-C4'-P energy: -75.538 tors. eta vs tors. theta energy: -39.259 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: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -905.033613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.033613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.033613 (E_RNA) where: Base-Base interactions energy: -394.377 where: short stacking energy: -315.401 Base-Backbone interact. energy: -2.394 local terms energy: -508.262384 where: bonds (distance) C4'-P energy: -133.108 bonds (distance) P-C4' energy: -154.852 flat angles C4'-P-C4' energy: -120.983 flat angles P-C4'-P energy: -84.715 tors. eta vs tors. theta energy: -14.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -856.618365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.618365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.618365 (E_RNA) where: Base-Base interactions energy: -318.701 where: short stacking energy: -264.876 Base-Backbone interact. energy: -1.743 local terms energy: -536.174630 where: bonds (distance) C4'-P energy: -140.277 bonds (distance) P-C4' energy: -146.901 flat angles C4'-P-C4' energy: -133.224 flat angles P-C4'-P energy: -95.758 tors. eta vs tors. theta energy: -20.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -725.444868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.444868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.444868 (E_RNA) where: Base-Base interactions energy: -290.018 where: short stacking energy: -254.538 Base-Backbone interact. energy: -2.508 local terms energy: -432.919334 where: bonds (distance) C4'-P energy: -103.168 bonds (distance) P-C4' energy: -150.743 flat angles C4'-P-C4' energy: -115.085 flat angles P-C4'-P energy: -57.855 tors. eta vs tors. theta energy: -6.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -697.872498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.872498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.872498 (E_RNA) where: Base-Base interactions energy: -261.898 where: short stacking energy: -201.018 Base-Backbone interact. energy: 1.423 local terms energy: -437.397998 where: bonds (distance) C4'-P energy: -138.463 bonds (distance) P-C4' energy: -146.781 flat angles C4'-P-C4' energy: -92.113 flat angles P-C4'-P energy: -72.113 tors. eta vs tors. theta energy: 12.072 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: 8 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -699.567962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.567962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.567962 (E_RNA) where: Base-Base interactions energy: -246.114 where: short stacking energy: -176.595 Base-Backbone interact. energy: -1.034 local terms energy: -452.419741 where: bonds (distance) C4'-P energy: -140.539 bonds (distance) P-C4' energy: -133.408 flat angles C4'-P-C4' energy: -133.754 flat angles P-C4'-P energy: -69.159 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: 2 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1422.926940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.926940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.926940 (E_RNA) where: Base-Base interactions energy: -656.827 where: short stacking energy: -575.125 Base-Backbone interact. energy: -1.026 local terms energy: -765.074504 where: bonds (distance) C4'-P energy: -170.215 bonds (distance) P-C4' energy: -158.715 flat angles C4'-P-C4' energy: -179.065 flat angles P-C4'-P energy: -119.188 tors. eta vs tors. theta energy: -137.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1422.434312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.434312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.434312 (E_RNA) where: Base-Base interactions energy: -724.825 where: short stacking energy: -500.791 Base-Backbone interact. energy: -0.920 local terms energy: -696.689949 where: bonds (distance) C4'-P energy: -134.707 bonds (distance) P-C4' energy: -176.741 flat angles C4'-P-C4' energy: -160.618 flat angles P-C4'-P energy: -109.452 tors. eta vs tors. theta energy: -115.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1218.667480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.667480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.667480 (E_RNA) where: Base-Base interactions energy: -577.574 where: short stacking energy: -460.428 Base-Backbone interact. energy: -1.483 local terms energy: -639.610602 where: bonds (distance) C4'-P energy: -166.199 bonds (distance) P-C4' energy: -152.162 flat angles C4'-P-C4' energy: -145.460 flat angles P-C4'-P energy: -99.545 tors. eta vs tors. theta energy: -76.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1208.725184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.725184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.725184 (E_RNA) where: Base-Base interactions energy: -606.417 where: short stacking energy: -432.548 Base-Backbone interact. energy: 0.925 local terms energy: -603.233233 where: bonds (distance) C4'-P energy: -153.373 bonds (distance) P-C4' energy: -145.274 flat angles C4'-P-C4' energy: -152.112 flat angles P-C4'-P energy: -79.691 tors. eta vs tors. theta energy: -72.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -1012.892767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.892767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.892767 (E_RNA) where: Base-Base interactions energy: -460.023 where: short stacking energy: -382.632 Base-Backbone interact. energy: 3.587 local terms energy: -556.456781 where: bonds (distance) C4'-P energy: -131.681 bonds (distance) P-C4' energy: -173.357 flat angles C4'-P-C4' energy: -119.506 flat angles P-C4'-P energy: -89.718 tors. eta vs tors. theta energy: -42.194 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: 6, replica: 7 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -972.903052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.903052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.903052 (E_RNA) where: Base-Base interactions energy: -428.094 where: short stacking energy: -317.206 Base-Backbone interact. energy: 1.559 local terms energy: -546.368305 where: bonds (distance) C4'-P energy: -139.325 bonds (distance) P-C4' energy: -142.893 flat angles C4'-P-C4' energy: -125.453 flat angles P-C4'-P energy: -92.959 tors. eta vs tors. theta energy: -45.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -831.798891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.798891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.798891 (E_RNA) where: Base-Base interactions energy: -301.064 where: short stacking energy: -231.952 Base-Backbone interact. energy: 1.079 local terms energy: -531.814278 where: bonds (distance) C4'-P energy: -141.497 bonds (distance) P-C4' energy: -151.883 flat angles C4'-P-C4' energy: -135.609 flat angles P-C4'-P energy: -96.318 tors. eta vs tors. theta energy: -6.508 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: 9 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -743.953385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.953385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.953385 (E_RNA) where: Base-Base interactions energy: -265.849 where: short stacking energy: -219.316 Base-Backbone interact. energy: 0.260 local terms energy: -478.363573 where: bonds (distance) C4'-P energy: -134.520 bonds (distance) P-C4' energy: -148.983 flat angles C4'-P-C4' energy: -133.704 flat angles P-C4'-P energy: -56.389 tors. eta vs tors. theta energy: -4.767 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: 10 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -682.294101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.294101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.294101 (E_RNA) where: Base-Base interactions energy: -262.320 where: short stacking energy: -212.863 Base-Backbone interact. energy: -0.892 local terms energy: -419.082431 where: bonds (distance) C4'-P energy: -125.473 bonds (distance) P-C4' energy: -146.708 flat angles C4'-P-C4' energy: -109.137 flat angles P-C4'-P energy: -61.654 tors. eta vs tors. theta energy: 23.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -652.320542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.320542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.320542 (E_RNA) where: Base-Base interactions energy: -254.829 where: short stacking energy: -178.607 Base-Backbone interact. energy: 8.520 local terms energy: -406.010743 where: bonds (distance) C4'-P energy: -122.188 bonds (distance) P-C4' energy: -137.666 flat angles C4'-P-C4' energy: -111.879 flat angles P-C4'-P energy: -69.739 tors. eta vs tors. theta energy: 35.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1571.981642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.981642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.981642 (E_RNA) where: Base-Base interactions energy: -815.850 where: short stacking energy: -546.954 Base-Backbone interact. energy: -1.179 local terms energy: -754.953193 where: bonds (distance) C4'-P energy: -165.980 bonds (distance) P-C4' energy: -165.000 flat angles C4'-P-C4' energy: -160.975 flat angles P-C4'-P energy: -123.048 tors. eta vs tors. theta energy: -139.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1353.917712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.917712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.917712 (E_RNA) where: Base-Base interactions energy: -638.296 where: short stacking energy: -574.050 Base-Backbone interact. energy: -1.442 local terms energy: -714.179867 where: bonds (distance) C4'-P energy: -153.143 bonds (distance) P-C4' energy: -171.647 flat angles C4'-P-C4' energy: -167.118 flat angles P-C4'-P energy: -93.026 tors. eta vs tors. theta energy: -129.247 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: 3, replica: 5 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1351.283300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.283300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.283300 (E_RNA) where: Base-Base interactions energy: -642.089 where: short stacking energy: -486.021 Base-Backbone interact. energy: -2.658 local terms energy: -706.536629 where: bonds (distance) C4'-P energy: -152.257 bonds (distance) P-C4' energy: -160.072 flat angles C4'-P-C4' energy: -169.812 flat angles P-C4'-P energy: -95.534 tors. eta vs tors. theta energy: -128.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1174.123826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.123826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.123826 (E_RNA) where: Base-Base interactions energy: -557.795 where: short stacking energy: -424.780 Base-Backbone interact. energy: -0.952 local terms energy: -615.377380 where: bonds (distance) C4'-P energy: -148.046 bonds (distance) P-C4' energy: -160.981 flat angles C4'-P-C4' energy: -133.343 flat angles P-C4'-P energy: -105.355 tors. eta vs tors. theta energy: -67.652 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: 4 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1014.055847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.055847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.055847 (E_RNA) where: Base-Base interactions energy: -449.011 where: short stacking energy: -372.240 Base-Backbone interact. energy: -0.783 local terms energy: -564.261258 where: bonds (distance) C4'-P energy: -147.664 bonds (distance) P-C4' energy: -160.921 flat angles C4'-P-C4' energy: -135.227 flat angles P-C4'-P energy: -76.255 tors. eta vs tors. theta energy: -44.194 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: 6, replica: 7 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -936.649783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.649783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.649783 (E_RNA) where: Base-Base interactions energy: -412.754 where: short stacking energy: -283.619 Base-Backbone interact. energy: -2.618 local terms energy: -521.277195 where: bonds (distance) C4'-P energy: -133.751 bonds (distance) P-C4' energy: -154.378 flat angles C4'-P-C4' energy: -151.010 flat angles P-C4'-P energy: -71.983 tors. eta vs tors. theta energy: -10.156 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: 6 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -852.061510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.061510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.061510 (E_RNA) where: Base-Base interactions energy: -332.305 where: short stacking energy: -250.521 Base-Backbone interact. energy: -2.200 local terms energy: -517.556162 where: bonds (distance) C4'-P energy: -143.037 bonds (distance) P-C4' energy: -144.001 flat angles C4'-P-C4' energy: -116.790 flat angles P-C4'-P energy: -104.930 tors. eta vs tors. theta energy: -8.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -757.982627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.982627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.982627 (E_RNA) where: Base-Base interactions energy: -328.518 where: short stacking energy: -230.419 Base-Backbone interact. energy: -1.655 local terms energy: -427.809309 where: bonds (distance) C4'-P energy: -136.505 bonds (distance) P-C4' energy: -146.917 flat angles C4'-P-C4' energy: -77.758 flat angles P-C4'-P energy: -82.108 tors. eta vs tors. theta energy: 15.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -699.084757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.084757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.084757 (E_RNA) where: Base-Base interactions energy: -254.281 where: short stacking energy: -223.999 Base-Backbone interact. energy: 4.541 local terms energy: -449.344586 where: bonds (distance) C4'-P energy: -135.880 bonds (distance) P-C4' energy: -117.924 flat angles C4'-P-C4' energy: -114.457 flat angles P-C4'-P energy: -86.814 tors. eta vs tors. theta energy: 5.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -644.354257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.354257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.354257 (E_RNA) where: Base-Base interactions energy: -226.709 where: short stacking energy: -153.180 Base-Backbone interact. energy: 0.106 local terms energy: -417.750522 where: bonds (distance) C4'-P energy: -120.995 bonds (distance) P-C4' energy: -145.211 flat angles C4'-P-C4' energy: -111.932 flat angles P-C4'-P energy: -67.653 tors. eta vs tors. theta energy: 28.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1621.187387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.187387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.187387 (E_RNA) where: Base-Base interactions energy: -890.910 where: short stacking energy: -604.916 Base-Backbone interact. energy: 4.265 local terms energy: -734.542128 where: bonds (distance) C4'-P energy: -148.484 bonds (distance) P-C4' energy: -177.938 flat angles C4'-P-C4' energy: -159.863 flat angles P-C4'-P energy: -105.999 tors. eta vs tors. theta energy: -142.258 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: 5 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1464.281440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.281440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.281440 (E_RNA) where: Base-Base interactions energy: -766.303 where: short stacking energy: -551.651 Base-Backbone interact. energy: -3.098 local terms energy: -694.879791 where: bonds (distance) C4'-P energy: -142.519 bonds (distance) P-C4' energy: -166.943 flat angles C4'-P-C4' energy: -157.821 flat angles P-C4'-P energy: -96.120 tors. eta vs tors. theta energy: -131.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1250.103262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.103262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.103262 (E_RNA) where: Base-Base interactions energy: -549.935 where: short stacking energy: -490.445 Base-Backbone interact. energy: -3.253 local terms energy: -696.914852 where: bonds (distance) C4'-P energy: -147.764 bonds (distance) P-C4' energy: -150.951 flat angles C4'-P-C4' energy: -164.098 flat angles P-C4'-P energy: -116.720 tors. eta vs tors. theta energy: -117.382 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: 4, replica: 3 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1175.073928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.073928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.073928 (E_RNA) where: Base-Base interactions energy: -568.172 where: short stacking energy: -436.640 Base-Backbone interact. energy: -4.125 local terms energy: -602.777112 where: bonds (distance) C4'-P energy: -145.689 bonds (distance) P-C4' energy: -145.469 flat angles C4'-P-C4' energy: -148.687 flat angles P-C4'-P energy: -95.290 tors. eta vs tors. theta energy: -67.641 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: 4 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -1020.617526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.617526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.617526 (E_RNA) where: Base-Base interactions energy: -471.531 where: short stacking energy: -357.360 Base-Backbone interact. energy: -1.210 local terms energy: -547.876677 where: bonds (distance) C4'-P energy: -133.286 bonds (distance) P-C4' energy: -153.420 flat angles C4'-P-C4' energy: -142.184 flat angles P-C4'-P energy: -72.114 tors. eta vs tors. theta energy: -46.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1008.880864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.880864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.880864 (E_RNA) where: Base-Base interactions energy: -473.087 where: short stacking energy: -338.972 Base-Backbone interact. energy: -1.604 local terms energy: -534.189831 where: bonds (distance) C4'-P energy: -131.058 bonds (distance) P-C4' energy: -156.767 flat angles C4'-P-C4' energy: -124.092 flat angles P-C4'-P energy: -76.978 tors. eta vs tors. theta energy: -45.294 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: 7 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -881.964886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.964886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.964886 (E_RNA) where: Base-Base interactions energy: -373.768 where: short stacking energy: -312.836 Base-Backbone interact. energy: 7.494 local terms energy: -515.691229 where: bonds (distance) C4'-P energy: -157.236 bonds (distance) P-C4' energy: -149.102 flat angles C4'-P-C4' energy: -134.591 flat angles P-C4'-P energy: -57.428 tors. eta vs tors. theta energy: -17.334 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: 9 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -799.763374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.763374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.763374 (E_RNA) where: Base-Base interactions energy: -357.800 where: short stacking energy: -265.039 Base-Backbone interact. energy: 0.038 local terms energy: -442.001468 where: bonds (distance) C4'-P energy: -134.503 bonds (distance) P-C4' energy: -141.022 flat angles C4'-P-C4' energy: -103.693 flat angles P-C4'-P energy: -54.375 tors. eta vs tors. theta energy: -8.409 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: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -750.286852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.286852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.286852 (E_RNA) where: Base-Base interactions energy: -299.820 where: short stacking energy: -229.365 Base-Backbone interact. energy: -2.908 local terms energy: -447.558854 where: bonds (distance) C4'-P energy: -113.686 bonds (distance) P-C4' energy: -143.667 flat angles C4'-P-C4' energy: -119.337 flat angles P-C4'-P energy: -73.505 tors. eta vs tors. theta energy: 2.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -648.200799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.200799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.200799 (E_RNA) where: Base-Base interactions energy: -237.937 where: short stacking energy: -156.632 Base-Backbone interact. energy: -2.168 local terms energy: -408.095121 where: bonds (distance) C4'-P energy: -111.211 bonds (distance) P-C4' energy: -121.774 flat angles C4'-P-C4' energy: -116.102 flat angles P-C4'-P energy: -80.282 tors. eta vs tors. theta energy: 21.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1656.881312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.881312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.881312 (E_RNA) where: Base-Base interactions energy: -897.627 where: short stacking energy: -594.591 Base-Backbone interact. energy: -3.227 local terms energy: -756.027938 where: bonds (distance) C4'-P energy: -157.153 bonds (distance) P-C4' energy: -179.008 flat angles C4'-P-C4' energy: -167.325 flat angles P-C4'-P energy: -99.201 tors. eta vs tors. theta energy: -153.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1510.484001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.484001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.484001 (E_RNA) where: Base-Base interactions energy: -781.392 where: short stacking energy: -543.986 Base-Backbone interact. energy: -0.330 local terms energy: -728.762406 where: bonds (distance) C4'-P energy: -156.457 bonds (distance) P-C4' energy: -156.998 flat angles C4'-P-C4' energy: -165.428 flat angles P-C4'-P energy: -113.184 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: 3, replica: 2 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1338.723683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.723683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.723683 (E_RNA) where: Base-Base interactions energy: -664.323 where: short stacking energy: -460.571 Base-Backbone interact. energy: 0.927 local terms energy: -675.326786 where: bonds (distance) C4'-P energy: -163.366 bonds (distance) P-C4' energy: -158.219 flat angles C4'-P-C4' energy: -154.067 flat angles P-C4'-P energy: -101.352 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: 4, replica: 3 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1206.355134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.355134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.355134 (E_RNA) where: Base-Base interactions energy: -571.396 where: short stacking energy: -424.194 Base-Backbone interact. energy: 3.946 local terms energy: -638.905461 where: bonds (distance) C4'-P energy: -140.329 bonds (distance) P-C4' energy: -167.538 flat angles C4'-P-C4' energy: -157.180 flat angles P-C4'-P energy: -100.834 tors. eta vs tors. theta energy: -73.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1096.974324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.974324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.974324 (E_RNA) where: Base-Base interactions energy: -489.670 where: short stacking energy: -373.858 Base-Backbone interact. energy: -0.885 local terms energy: -606.419291 where: bonds (distance) C4'-P energy: -146.000 bonds (distance) P-C4' energy: -155.997 flat angles C4'-P-C4' energy: -131.028 flat angles P-C4'-P energy: -110.116 tors. eta vs tors. theta energy: -63.278 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: 10 Temperature: 1.150000 Total energy: -1060.856564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.856564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.856564 (E_RNA) where: Base-Base interactions energy: -513.733 where: short stacking energy: -346.370 Base-Backbone interact. energy: 2.081 local terms energy: -549.204919 where: bonds (distance) C4'-P energy: -129.174 bonds (distance) P-C4' energy: -149.598 flat angles C4'-P-C4' energy: -151.040 flat angles P-C4'-P energy: -63.977 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: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -864.913905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.913905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.913905 (E_RNA) where: Base-Base interactions energy: -345.643 where: short stacking energy: -261.173 Base-Backbone interact. energy: -3.214 local terms energy: -516.056927 where: bonds (distance) C4'-P energy: -143.685 bonds (distance) P-C4' energy: -145.987 flat angles C4'-P-C4' energy: -148.731 flat angles P-C4'-P energy: -74.138 tors. eta vs tors. theta energy: -3.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -722.515725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.515725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.515725 (E_RNA) where: Base-Base interactions energy: -261.409 where: short stacking energy: -223.996 Base-Backbone interact. energy: -1.828 local terms energy: -459.278972 where: bonds (distance) C4'-P energy: -134.917 bonds (distance) P-C4' energy: -143.844 flat angles C4'-P-C4' energy: -132.157 flat angles P-C4'-P energy: -63.586 tors. eta vs tors. theta energy: 15.225 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: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -707.048026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.048026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.048026 (E_RNA) where: Base-Base interactions energy: -282.797 where: short stacking energy: -221.991 Base-Backbone interact. energy: -2.156 local terms energy: -422.094649 where: bonds (distance) C4'-P energy: -119.809 bonds (distance) P-C4' energy: -140.530 flat angles C4'-P-C4' energy: -119.246 flat angles P-C4'-P energy: -59.454 tors. eta vs tors. theta energy: 16.944 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: 8 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -691.817501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.817501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.817501 (E_RNA) where: Base-Base interactions energy: -284.238 where: short stacking energy: -206.081 Base-Backbone interact. energy: 1.804 local terms energy: -409.383359 where: bonds (distance) C4'-P energy: -122.851 bonds (distance) P-C4' energy: -139.452 flat angles C4'-P-C4' energy: -112.058 flat angles P-C4'-P energy: -62.389 tors. eta vs tors. theta energy: 27.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1680.399265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.399265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.399265 (E_RNA) where: Base-Base interactions energy: -911.085 where: short stacking energy: -581.518 Base-Backbone interact. energy: 0.138 local terms energy: -769.452461 where: bonds (distance) C4'-P energy: -166.668 bonds (distance) P-C4' energy: -165.456 flat angles C4'-P-C4' energy: -166.676 flat angles P-C4'-P energy: -119.094 tors. eta vs tors. theta energy: -151.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1565.131722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.131722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.131722 (E_RNA) where: Base-Base interactions energy: -858.688 where: short stacking energy: -518.731 Base-Backbone interact. energy: -0.481 local terms energy: -705.961878 where: bonds (distance) C4'-P energy: -171.724 bonds (distance) P-C4' energy: -150.068 flat angles C4'-P-C4' energy: -172.833 flat angles P-C4'-P energy: -97.530 tors. eta vs tors. theta energy: -113.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1300.788236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.788236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.788236 (E_RNA) where: Base-Base interactions energy: -625.353 where: short stacking energy: -440.635 Base-Backbone interact. energy: -1.997 local terms energy: -673.437518 where: bonds (distance) C4'-P energy: -158.471 bonds (distance) P-C4' energy: -162.885 flat angles C4'-P-C4' energy: -174.844 flat angles P-C4'-P energy: -102.584 tors. eta vs tors. theta energy: -74.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1223.840119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.840119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.840119 (E_RNA) where: Base-Base interactions energy: -597.058 where: short stacking energy: -409.503 Base-Backbone interact. energy: -0.771 local terms energy: -626.011817 where: bonds (distance) C4'-P energy: -151.367 bonds (distance) P-C4' energy: -147.666 flat angles C4'-P-C4' energy: -143.696 flat angles P-C4'-P energy: -103.151 tors. eta vs tors. theta energy: -80.132 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: 3 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1096.906665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.906665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.906665 (E_RNA) where: Base-Base interactions energy: -515.901 where: short stacking energy: -375.646 Base-Backbone interact. energy: -1.776 local terms energy: -579.229752 where: bonds (distance) C4'-P energy: -127.833 bonds (distance) P-C4' energy: -167.066 flat angles C4'-P-C4' energy: -134.854 flat angles P-C4'-P energy: -89.708 tors. eta vs tors. theta energy: -59.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1017.057532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.057532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.057532 (E_RNA) where: Base-Base interactions energy: -487.670 where: short stacking energy: -325.709 Base-Backbone interact. energy: -0.072 local terms energy: -529.315196 where: bonds (distance) C4'-P energy: -111.276 bonds (distance) P-C4' energy: -153.227 flat angles C4'-P-C4' energy: -134.177 flat angles P-C4'-P energy: -82.562 tors. eta vs tors. theta energy: -48.073 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: 7 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -871.865688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.865688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.865688 (E_RNA) where: Base-Base interactions energy: -363.977 where: short stacking energy: -283.856 Base-Backbone interact. energy: -0.624 local terms energy: -507.265102 where: bonds (distance) C4'-P energy: -130.085 bonds (distance) P-C4' energy: -147.335 flat angles C4'-P-C4' energy: -108.670 flat angles P-C4'-P energy: -94.243 tors. eta vs tors. theta energy: -26.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -838.329777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.329777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.329777 (E_RNA) where: Base-Base interactions energy: -363.527 where: short stacking energy: -254.517 Base-Backbone interact. energy: 2.712 local terms energy: -477.514654 where: bonds (distance) C4'-P energy: -128.444 bonds (distance) P-C4' energy: -129.904 flat angles C4'-P-C4' energy: -124.699 flat angles P-C4'-P energy: -85.923 tors. eta vs tors. theta energy: -8.545 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: 9 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -681.197841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.197841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.197841 (E_RNA) where: Base-Base interactions energy: -240.706 where: short stacking energy: -199.169 Base-Backbone interact. energy: -1.692 local terms energy: -438.799559 where: bonds (distance) C4'-P energy: -132.598 bonds (distance) P-C4' energy: -134.055 flat angles C4'-P-C4' energy: -115.704 flat angles P-C4'-P energy: -73.782 tors. eta vs tors. theta energy: 17.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -688.387158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.387158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.387158 (E_RNA) where: Base-Base interactions energy: -247.671 where: short stacking energy: -179.304 Base-Backbone interact. energy: 0.476 local terms energy: -441.191322 where: bonds (distance) C4'-P energy: -124.111 bonds (distance) P-C4' energy: -151.256 flat angles C4'-P-C4' energy: -129.730 flat angles P-C4'-P energy: -63.175 tors. eta vs tors. theta energy: 27.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1670.678797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.678797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.678797 (E_RNA) where: Base-Base interactions energy: -920.563 where: short stacking energy: -597.039 Base-Backbone interact. energy: -1.600 local terms energy: -748.515840 where: bonds (distance) C4'-P energy: -170.087 bonds (distance) P-C4' energy: -172.415 flat angles C4'-P-C4' energy: -175.509 flat angles P-C4'-P energy: -97.923 tors. eta vs tors. theta energy: -132.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1601.496704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.496704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.496704 (E_RNA) where: Base-Base interactions energy: -890.952 where: short stacking energy: -550.005 Base-Backbone interact. energy: 4.680 local terms energy: -715.224477 where: bonds (distance) C4'-P energy: -161.733 bonds (distance) P-C4' energy: -172.609 flat angles C4'-P-C4' energy: -172.265 flat angles P-C4'-P energy: -93.181 tors. eta vs tors. theta energy: -115.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1437.166103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.166103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.166103 (E_RNA) where: Base-Base interactions energy: -736.883 where: short stacking energy: -478.370 Base-Backbone interact. energy: -1.354 local terms energy: -698.928787 where: bonds (distance) C4'-P energy: -160.340 bonds (distance) P-C4' energy: -159.066 flat angles C4'-P-C4' energy: -164.904 flat angles P-C4'-P energy: -109.734 tors. eta vs tors. theta energy: -104.886 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: 6 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1296.241167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.241167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.241167 (E_RNA) where: Base-Base interactions energy: -688.914 where: short stacking energy: -443.382 Base-Backbone interact. energy: -0.949 local terms energy: -606.378472 where: bonds (distance) C4'-P energy: -145.689 bonds (distance) P-C4' energy: -150.531 flat angles C4'-P-C4' energy: -146.224 flat angles P-C4'-P energy: -88.944 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: 5, replica: 3 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1144.622124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.622124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.622124 (E_RNA) where: Base-Base interactions energy: -550.949 where: short stacking energy: -383.983 Base-Backbone interact. energy: 1.607 local terms energy: -595.280126 where: bonds (distance) C4'-P energy: -148.333 bonds (distance) P-C4' energy: -171.639 flat angles C4'-P-C4' energy: -139.290 flat angles P-C4'-P energy: -85.992 tors. eta vs tors. theta energy: -50.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1068.449374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.449374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.449374 (E_RNA) where: Base-Base interactions energy: -510.127 where: short stacking energy: -342.454 Base-Backbone interact. energy: 1.017 local terms energy: -559.338716 where: bonds (distance) C4'-P energy: -132.437 bonds (distance) P-C4' energy: -155.043 flat angles C4'-P-C4' energy: -131.883 flat angles P-C4'-P energy: -92.756 tors. eta vs tors. theta energy: -47.220 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: 7 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -841.194929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.194929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.194929 (E_RNA) where: Base-Base interactions energy: -350.711 where: short stacking energy: -288.318 Base-Backbone interact. energy: -0.749 local terms energy: -489.735267 where: bonds (distance) C4'-P energy: -134.490 bonds (distance) P-C4' energy: -146.296 flat angles C4'-P-C4' energy: -121.736 flat angles P-C4'-P energy: -74.648 tors. eta vs tors. theta energy: -12.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -852.683893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.683893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.683893 (E_RNA) where: Base-Base interactions energy: -366.273 where: short stacking energy: -251.036 Base-Backbone interact. energy: -2.685 local terms energy: -483.725762 where: bonds (distance) C4'-P energy: -120.208 bonds (distance) P-C4' energy: -132.019 flat angles C4'-P-C4' energy: -147.998 flat angles P-C4'-P energy: -71.106 tors. eta vs tors. theta energy: -12.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -711.970652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.970652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.970652 (E_RNA) where: Base-Base interactions energy: -256.554 where: short stacking energy: -236.583 Base-Backbone interact. energy: 1.095 local terms energy: -456.511310 where: bonds (distance) C4'-P energy: -143.489 bonds (distance) P-C4' energy: -136.662 flat angles C4'-P-C4' energy: -119.185 flat angles P-C4'-P energy: -63.722 tors. eta vs tors. theta energy: 6.547 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: 8 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -669.538223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.538223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.538223 (E_RNA) where: Base-Base interactions energy: -251.008 where: short stacking energy: -156.464 Base-Backbone interact. energy: -2.084 local terms energy: -416.445515 where: bonds (distance) C4'-P energy: -123.105 bonds (distance) P-C4' energy: -132.776 flat angles C4'-P-C4' energy: -116.006 flat angles P-C4'-P energy: -61.020 tors. eta vs tors. theta energy: 16.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1644.609586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.609586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.609586 (E_RNA) where: Base-Base interactions energy: -899.201 where: short stacking energy: -560.968 Base-Backbone interact. energy: -0.508 local terms energy: -744.900052 where: bonds (distance) C4'-P energy: -175.891 bonds (distance) P-C4' energy: -159.838 flat angles C4'-P-C4' energy: -171.312 flat angles P-C4'-P energy: -104.324 tors. eta vs tors. theta energy: -133.535 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: 5 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1651.992711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.992711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.992711 (E_RNA) where: Base-Base interactions energy: -927.840 where: short stacking energy: -592.908 Base-Backbone interact. energy: -2.399 local terms energy: -721.753424 where: bonds (distance) C4'-P energy: -150.550 bonds (distance) P-C4' energy: -154.614 flat angles C4'-P-C4' energy: -171.735 flat angles P-C4'-P energy: -103.260 tors. eta vs tors. theta energy: -141.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1368.918432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.918432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.918432 (E_RNA) where: Base-Base interactions energy: -720.212 where: short stacking energy: -502.653 Base-Backbone interact. energy: -0.504 local terms energy: -648.202586 where: bonds (distance) C4'-P energy: -142.164 bonds (distance) P-C4' energy: -154.349 flat angles C4'-P-C4' energy: -140.129 flat angles P-C4'-P energy: -92.925 tors. eta vs tors. theta energy: -118.636 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: 6 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1390.733222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.733222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.733222 (E_RNA) where: Base-Base interactions energy: -734.418 where: short stacking energy: -427.723 Base-Backbone interact. energy: -3.431 local terms energy: -652.884279 where: bonds (distance) C4'-P energy: -159.377 bonds (distance) P-C4' energy: -159.142 flat angles C4'-P-C4' energy: -151.465 flat angles P-C4'-P energy: -92.769 tors. eta vs tors. theta energy: -90.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1175.984775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.984775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.984775 (E_RNA) where: Base-Base interactions energy: -563.798 where: short stacking energy: -389.094 Base-Backbone interact. energy: -0.372 local terms energy: -611.815137 where: bonds (distance) C4'-P energy: -158.171 bonds (distance) P-C4' energy: -150.687 flat angles C4'-P-C4' energy: -152.816 flat angles P-C4'-P energy: -105.115 tors. eta vs tors. theta energy: -45.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1088.643931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.643931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.643931 (E_RNA) where: Base-Base interactions energy: -525.699 where: short stacking energy: -311.770 Base-Backbone interact. energy: -1.389 local terms energy: -561.555329 where: bonds (distance) C4'-P energy: -149.412 bonds (distance) P-C4' energy: -147.156 flat angles C4'-P-C4' energy: -145.614 flat angles P-C4'-P energy: -80.725 tors. eta vs tors. theta energy: -38.648 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: 7 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -895.296317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.296317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.296317 (E_RNA) where: Base-Base interactions energy: -383.691 where: short stacking energy: -266.653 Base-Backbone interact. energy: 2.596 local terms energy: -514.201576 where: bonds (distance) C4'-P energy: -130.950 bonds (distance) P-C4' energy: -161.998 flat angles C4'-P-C4' energy: -127.098 flat angles P-C4'-P energy: -70.542 tors. eta vs tors. theta energy: -23.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -720.362177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.362177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.362177 (E_RNA) where: Base-Base interactions energy: -289.786 where: short stacking energy: -250.954 Base-Backbone interact. energy: -3.432 local terms energy: -427.144757 where: bonds (distance) C4'-P energy: -118.424 bonds (distance) P-C4' energy: -131.476 flat angles C4'-P-C4' energy: -115.497 flat angles P-C4'-P energy: -66.646 tors. eta vs tors. theta energy: 4.899 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: 10 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -791.741287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.741287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.741287 (E_RNA) where: Base-Base interactions energy: -365.397 where: short stacking energy: -252.924 Base-Backbone interact. energy: -3.556 local terms energy: -422.788726 where: bonds (distance) C4'-P energy: -123.449 bonds (distance) P-C4' energy: -129.622 flat angles C4'-P-C4' energy: -101.320 flat angles P-C4'-P energy: -71.932 tors. eta vs tors. theta energy: 3.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -664.134541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.134541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.134541 (E_RNA) where: Base-Base interactions energy: -280.679 where: short stacking energy: -183.847 Base-Backbone interact. energy: 4.725 local terms energy: -388.179740 where: bonds (distance) C4'-P energy: -116.653 bonds (distance) P-C4' energy: -140.926 flat angles C4'-P-C4' energy: -112.740 flat angles P-C4'-P energy: -61.740 tors. eta vs tors. theta energy: 43.880 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: 1, replica: 5 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1794.344390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.344390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.344390 (E_RNA) where: Base-Base interactions energy: -1031.116 where: short stacking energy: -609.705 Base-Backbone interact. energy: -1.913 local terms energy: -761.316324 where: bonds (distance) C4'-P energy: -177.538 bonds (distance) P-C4' energy: -159.560 flat angles C4'-P-C4' energy: -172.630 flat angles P-C4'-P energy: -100.016 tors. eta vs tors. theta energy: -151.573 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: 2, replica: 1 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1630.100354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.100354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.100354 (E_RNA) where: Base-Base interactions energy: -865.967 where: short stacking energy: -580.000 Base-Backbone interact. energy: -0.836 local terms energy: -763.297748 where: bonds (distance) C4'-P energy: -163.252 bonds (distance) P-C4' energy: -178.150 flat angles C4'-P-C4' energy: -162.144 flat angles P-C4'-P energy: -112.329 tors. eta vs tors. theta energy: -147.423 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: 6 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1502.762147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.762147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.762147 (E_RNA) where: Base-Base interactions energy: -809.436 where: short stacking energy: -496.450 Base-Backbone interact. energy: -2.834 local terms energy: -690.492617 where: bonds (distance) C4'-P energy: -149.537 bonds (distance) P-C4' energy: -164.446 flat angles C4'-P-C4' energy: -158.842 flat angles P-C4'-P energy: -106.170 tors. eta vs tors. theta energy: -111.498 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: 2 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1357.096776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.096776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.096776 (E_RNA) where: Base-Base interactions energy: -729.183 where: short stacking energy: -433.068 Base-Backbone interact. energy: 1.761 local terms energy: -629.674321 where: bonds (distance) C4'-P energy: -153.203 bonds (distance) P-C4' energy: -170.066 flat angles C4'-P-C4' energy: -166.691 flat angles P-C4'-P energy: -78.120 tors. eta vs tors. theta energy: -61.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1263.314195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.314195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.314195 (E_RNA) where: Base-Base interactions energy: -688.198 where: short stacking energy: -398.732 Base-Backbone interact. energy: -2.828 local terms energy: -572.288294 where: bonds (distance) C4'-P energy: -130.190 bonds (distance) P-C4' energy: -144.434 flat angles C4'-P-C4' energy: -143.961 flat angles P-C4'-P energy: -99.150 tors. eta vs tors. theta energy: -54.553 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: 3 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1064.959654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.959654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.959654 (E_RNA) where: Base-Base interactions energy: -508.767 where: short stacking energy: -313.225 Base-Backbone interact. energy: 4.856 local terms energy: -561.049039 where: bonds (distance) C4'-P energy: -136.931 bonds (distance) P-C4' energy: -162.712 flat angles C4'-P-C4' energy: -147.085 flat angles P-C4'-P energy: -74.725 tors. eta vs tors. theta energy: -39.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -984.516135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.516135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.516135 (E_RNA) where: Base-Base interactions energy: -439.876 where: short stacking energy: -274.015 Base-Backbone interact. energy: -1.677 local terms energy: -542.963369 where: bonds (distance) C4'-P energy: -137.434 bonds (distance) P-C4' energy: -157.914 flat angles C4'-P-C4' energy: -143.329 flat angles P-C4'-P energy: -75.647 tors. eta vs tors. theta energy: -28.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -739.046712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.046712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.046712 (E_RNA) where: Base-Base interactions energy: -283.528 where: short stacking energy: -228.551 Base-Backbone interact. energy: 0.263 local terms energy: -455.781759 where: bonds (distance) C4'-P energy: -146.016 bonds (distance) P-C4' energy: -116.564 flat angles C4'-P-C4' energy: -142.295 flat angles P-C4'-P energy: -61.310 tors. eta vs tors. theta energy: 10.403 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: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -778.040038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.040038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.040038 (E_RNA) where: Base-Base interactions energy: -371.489 where: short stacking energy: -238.111 Base-Backbone interact. energy: 8.570 local terms energy: -415.121186 where: bonds (distance) C4'-P energy: -127.652 bonds (distance) P-C4' energy: -135.149 flat angles C4'-P-C4' energy: -114.257 flat angles P-C4'-P energy: -54.175 tors. eta vs tors. theta energy: 16.111 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: 8 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -656.420501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.420501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.420501 (E_RNA) where: Base-Base interactions energy: -265.394 where: short stacking energy: -200.054 Base-Backbone interact. energy: 4.112 local terms energy: -395.139168 where: bonds (distance) C4'-P energy: -149.657 bonds (distance) P-C4' energy: -125.233 flat angles C4'-P-C4' energy: -112.535 flat angles P-C4'-P energy: -40.303 tors. eta vs tors. theta energy: 32.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1820.596457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.596457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.596457 (E_RNA) where: Base-Base interactions energy: -1064.444 where: short stacking energy: -629.961 Base-Backbone interact. energy: 1.244 local terms energy: -757.396508 where: bonds (distance) C4'-P energy: -161.291 bonds (distance) P-C4' energy: -166.571 flat angles C4'-P-C4' energy: -158.031 flat angles P-C4'-P energy: -114.789 tors. eta vs tors. theta energy: -156.715 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: 15 Temperature: 0.950000 Total energy: -1676.592254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.592254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.592254 (E_RNA) where: Base-Base interactions energy: -946.809 where: short stacking energy: -560.376 Base-Backbone interact. energy: -2.240 local terms energy: -727.543130 where: bonds (distance) C4'-P energy: -164.596 bonds (distance) P-C4' energy: -149.613 flat angles C4'-P-C4' energy: -174.562 flat angles P-C4'-P energy: -120.008 tors. eta vs tors. theta energy: -118.764 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: 1 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1506.462205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.462205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.462205 (E_RNA) where: Base-Base interactions energy: -798.179 where: short stacking energy: -510.634 Base-Backbone interact. energy: -2.381 local terms energy: -705.902186 where: bonds (distance) C4'-P energy: -147.701 bonds (distance) P-C4' energy: -163.019 flat angles C4'-P-C4' energy: -172.699 flat angles P-C4'-P energy: -87.119 tors. eta vs tors. theta energy: -135.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1356.094599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.094599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.094599 (E_RNA) where: Base-Base interactions energy: -721.578 where: short stacking energy: -429.831 Base-Backbone interact. energy: -0.293 local terms energy: -634.224223 where: bonds (distance) C4'-P energy: -149.223 bonds (distance) P-C4' energy: -163.368 flat angles C4'-P-C4' energy: -146.588 flat angles P-C4'-P energy: -92.976 tors. eta vs tors. theta energy: -82.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1312.946663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.946663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.946663 (E_RNA) where: Base-Base interactions energy: -736.979 where: short stacking energy: -425.995 Base-Backbone interact. energy: -0.326 local terms energy: -575.641527 where: bonds (distance) C4'-P energy: -133.870 bonds (distance) P-C4' energy: -145.820 flat angles C4'-P-C4' energy: -148.701 flat angles P-C4'-P energy: -79.654 tors. eta vs tors. theta energy: -67.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1175.223248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.223248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.223248 (E_RNA) where: Base-Base interactions energy: -610.182 where: short stacking energy: -387.125 Base-Backbone interact. energy: -1.830 local terms energy: -563.210491 where: bonds (distance) C4'-P energy: -143.955 bonds (distance) P-C4' energy: -131.171 flat angles C4'-P-C4' energy: -145.068 flat angles P-C4'-P energy: -93.209 tors. eta vs tors. theta energy: -49.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -907.388658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.388658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.388658 (E_RNA) where: Base-Base interactions energy: -419.023 where: short stacking energy: -292.698 Base-Backbone interact. energy: 2.261 local terms energy: -490.626770 where: bonds (distance) C4'-P energy: -137.032 bonds (distance) P-C4' energy: -126.536 flat angles C4'-P-C4' energy: -133.511 flat angles P-C4'-P energy: -75.144 tors. eta vs tors. theta energy: -18.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -844.233638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.233638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.233638 (E_RNA) where: Base-Base interactions energy: -355.960 where: short stacking energy: -226.673 Base-Backbone interact. energy: -2.671 local terms energy: -485.602578 where: bonds (distance) C4'-P energy: -137.684 bonds (distance) P-C4' energy: -133.215 flat angles C4'-P-C4' energy: -125.582 flat angles P-C4'-P energy: -99.671 tors. eta vs tors. theta energy: 10.548 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: 15 Temperature: 1.300000 Total energy: -712.897072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.897072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.897072 (E_RNA) where: Base-Base interactions energy: -266.274 where: short stacking energy: -200.869 Base-Backbone interact. energy: -0.813 local terms energy: -445.809547 where: bonds (distance) C4'-P energy: -139.101 bonds (distance) P-C4' energy: -132.145 flat angles C4'-P-C4' energy: -117.268 flat angles P-C4'-P energy: -66.558 tors. eta vs tors. theta energy: 9.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -615.468116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.468116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.468116 (E_RNA) where: Base-Base interactions energy: -214.413 where: short stacking energy: -151.454 Base-Backbone interact. energy: 6.083 local terms energy: -407.138121 where: bonds (distance) C4'-P energy: -137.420 bonds (distance) P-C4' energy: -142.601 flat angles C4'-P-C4' energy: -105.983 flat angles P-C4'-P energy: -54.274 tors. eta vs tors. theta energy: 33.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1884.770311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.770311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.770311 (E_RNA) where: Base-Base interactions energy: -1091.698 where: short stacking energy: -652.496 Base-Backbone interact. energy: 0.008 local terms energy: -793.080120 where: bonds (distance) C4'-P energy: -154.016 bonds (distance) P-C4' energy: -168.824 flat angles C4'-P-C4' energy: -176.972 flat angles P-C4'-P energy: -116.482 tors. eta vs tors. theta energy: -176.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1760.007255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.007255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.007255 (E_RNA) where: Base-Base interactions energy: -1020.586 where: short stacking energy: -579.668 Base-Backbone interact. energy: -3.052 local terms energy: -736.369423 where: bonds (distance) C4'-P energy: -153.904 bonds (distance) P-C4' energy: -165.327 flat angles C4'-P-C4' energy: -166.114 flat angles P-C4'-P energy: -111.430 tors. eta vs tors. theta energy: -139.594 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: 1 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1461.680160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.680160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.680160 (E_RNA) where: Base-Base interactions energy: -746.174 where: short stacking energy: -532.683 Base-Backbone interact. energy: -1.071 local terms energy: -714.435077 where: bonds (distance) C4'-P energy: -157.921 bonds (distance) P-C4' energy: -152.010 flat angles C4'-P-C4' energy: -179.135 flat angles P-C4'-P energy: -100.799 tors. eta vs tors. theta energy: -124.571 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: 2 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1470.149270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.149270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.149270 (E_RNA) where: Base-Base interactions energy: -812.498 where: short stacking energy: -463.890 Base-Backbone interact. energy: -4.348 local terms energy: -653.304061 where: bonds (distance) C4'-P energy: -156.600 bonds (distance) P-C4' energy: -159.382 flat angles C4'-P-C4' energy: -150.500 flat angles P-C4'-P energy: -104.879 tors. eta vs tors. theta energy: -81.943 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: 4 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1286.789707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.789707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.789707 (E_RNA) where: Base-Base interactions energy: -736.896 where: short stacking energy: -404.966 Base-Backbone interact. energy: -4.140 local terms energy: -545.753223 where: bonds (distance) C4'-P energy: -149.978 bonds (distance) P-C4' energy: -124.279 flat angles C4'-P-C4' energy: -143.028 flat angles P-C4'-P energy: -78.915 tors. eta vs tors. theta energy: -49.553 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: 3 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1118.679277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.679277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.679277 (E_RNA) where: Base-Base interactions energy: -599.474 where: short stacking energy: -343.368 Base-Backbone interact. energy: 6.423 local terms energy: -525.627539 where: bonds (distance) C4'-P energy: -151.843 bonds (distance) P-C4' energy: -153.491 flat angles C4'-P-C4' energy: -122.019 flat angles P-C4'-P energy: -68.791 tors. eta vs tors. theta energy: -29.484 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: 10 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -856.727254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.727254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.727254 (E_RNA) where: Base-Base interactions energy: -367.787 where: short stacking energy: -265.249 Base-Backbone interact. energy: 5.521 local terms energy: -494.461700 where: bonds (distance) C4'-P energy: -135.148 bonds (distance) P-C4' energy: -151.032 flat angles C4'-P-C4' energy: -135.279 flat angles P-C4'-P energy: -63.802 tors. eta vs tors. theta energy: -9.200 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: 7 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -865.154404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.154404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.154404 (E_RNA) where: Base-Base interactions energy: -383.477 where: short stacking energy: -263.712 Base-Backbone interact. energy: -1.106 local terms energy: -480.570952 where: bonds (distance) C4'-P energy: -124.912 bonds (distance) P-C4' energy: -136.352 flat angles C4'-P-C4' energy: -140.146 flat angles P-C4'-P energy: -57.397 tors. eta vs tors. theta energy: -21.764 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: 9 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -774.786638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.786638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.786638 (E_RNA) where: Base-Base interactions energy: -309.758 where: short stacking energy: -194.894 Base-Backbone interact. energy: 1.917 local terms energy: -466.945920 where: bonds (distance) C4'-P energy: -138.549 bonds (distance) P-C4' energy: -156.547 flat angles C4'-P-C4' energy: -116.119 flat angles P-C4'-P energy: -73.372 tors. eta vs tors. theta energy: 17.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -611.288290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.288290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.288290 (E_RNA) where: Base-Base interactions energy: -203.328 where: short stacking energy: -171.981 Base-Backbone interact. energy: 0.165 local terms energy: -408.125345 where: bonds (distance) C4'-P energy: -122.346 bonds (distance) P-C4' energy: -126.251 flat angles C4'-P-C4' energy: -118.447 flat angles P-C4'-P energy: -76.024 tors. eta vs tors. theta energy: 34.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1938.955691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.955691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.955691 (E_RNA) where: Base-Base interactions energy: -1147.489 where: short stacking energy: -655.746 Base-Backbone interact. energy: -2.679 local terms energy: -788.787093 where: bonds (distance) C4'-P energy: -155.205 bonds (distance) P-C4' energy: -174.705 flat angles C4'-P-C4' energy: -166.405 flat angles P-C4'-P energy: -107.037 tors. eta vs tors. theta energy: -185.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1771.517897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.517897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.517897 (E_RNA) where: Base-Base interactions energy: -1019.844 where: short stacking energy: -572.954 Base-Backbone interact. energy: -1.289 local terms energy: -750.385734 where: bonds (distance) C4'-P energy: -155.828 bonds (distance) P-C4' energy: -176.915 flat angles C4'-P-C4' energy: -166.824 flat angles P-C4'-P energy: -114.852 tors. eta vs tors. theta energy: -135.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1482.449007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.449007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.449007 (E_RNA) where: Base-Base interactions energy: -798.202 where: short stacking energy: -504.157 Base-Backbone interact. energy: -2.421 local terms energy: -681.826631 where: bonds (distance) C4'-P energy: -151.537 bonds (distance) P-C4' energy: -144.640 flat angles C4'-P-C4' energy: -159.288 flat angles P-C4'-P energy: -102.617 tors. eta vs tors. theta energy: -123.745 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: 2 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1450.700666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.700666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.700666 (E_RNA) where: Base-Base interactions energy: -816.642 where: short stacking energy: -453.784 Base-Backbone interact. energy: 0.636 local terms energy: -634.694717 where: bonds (distance) C4'-P energy: -150.466 bonds (distance) P-C4' energy: -158.230 flat angles C4'-P-C4' energy: -141.328 flat angles P-C4'-P energy: -90.937 tors. eta vs tors. theta energy: -93.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1291.854758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.854758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.854758 (E_RNA) where: Base-Base interactions energy: -697.786 where: short stacking energy: -392.183 Base-Backbone interact. energy: 1.762 local terms energy: -595.831204 where: bonds (distance) C4'-P energy: -149.571 bonds (distance) P-C4' energy: -157.218 flat angles C4'-P-C4' energy: -144.355 flat angles P-C4'-P energy: -83.568 tors. eta vs tors. theta energy: -61.120 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: 3 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1185.396300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.396300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.396300 (E_RNA) where: Base-Base interactions energy: -630.879 where: short stacking energy: -370.054 Base-Backbone interact. energy: 1.879 local terms energy: -556.396318 where: bonds (distance) C4'-P energy: -144.730 bonds (distance) P-C4' energy: -137.316 flat angles C4'-P-C4' energy: -130.984 flat angles P-C4'-P energy: -85.829 tors. eta vs tors. theta energy: -57.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -891.237076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.237076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.237076 (E_RNA) where: Base-Base interactions energy: -400.266 where: short stacking energy: -273.981 Base-Backbone interact. energy: -0.913 local terms energy: -490.058461 where: bonds (distance) C4'-P energy: -119.946 bonds (distance) P-C4' energy: -139.138 flat angles C4'-P-C4' energy: -131.142 flat angles P-C4'-P energy: -85.388 tors. eta vs tors. theta energy: -14.444 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: 9 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -806.611223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.611223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.611223 (E_RNA) where: Base-Base interactions energy: -362.604 where: short stacking energy: -263.511 Base-Backbone interact. energy: 1.791 local terms energy: -445.798079 where: bonds (distance) C4'-P energy: -129.638 bonds (distance) P-C4' energy: -120.976 flat angles C4'-P-C4' energy: -127.782 flat angles P-C4'-P energy: -72.508 tors. eta vs tors. theta energy: 5.106 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: 7 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -767.419894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.419894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.419894 (E_RNA) where: Base-Base interactions energy: -350.661 where: short stacking energy: -220.019 Base-Backbone interact. energy: 0.585 local terms energy: -417.343926 where: bonds (distance) C4'-P energy: -117.183 bonds (distance) P-C4' energy: -138.513 flat angles C4'-P-C4' energy: -115.433 flat angles P-C4'-P energy: -57.761 tors. eta vs tors. theta energy: 11.547 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: 8 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -615.207177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.207177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.207177 (E_RNA) where: Base-Base interactions energy: -196.460 where: short stacking energy: -168.253 Base-Backbone interact. energy: 0.313 local terms energy: -419.059806 where: bonds (distance) C4'-P energy: -133.475 bonds (distance) P-C4' energy: -117.506 flat angles C4'-P-C4' energy: -106.216 flat angles P-C4'-P energy: -72.550 tors. eta vs tors. theta energy: 10.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1871.126393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.126393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.126393 (E_RNA) where: Base-Base interactions energy: -1099.297 where: short stacking energy: -626.067 Base-Backbone interact. energy: 0.608 local terms energy: -772.437465 where: bonds (distance) C4'-P energy: -153.068 bonds (distance) P-C4' energy: -178.532 flat angles C4'-P-C4' energy: -166.337 flat angles P-C4'-P energy: -110.944 tors. eta vs tors. theta energy: -163.557 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: 18 Temperature: 0.950000 Total energy: -1787.089642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.089642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.089642 (E_RNA) where: Base-Base interactions energy: -1056.167 where: short stacking energy: -607.475 Base-Backbone interact. energy: 1.460 local terms energy: -732.381872 where: bonds (distance) C4'-P energy: -154.698 bonds (distance) P-C4' energy: -158.742 flat angles C4'-P-C4' energy: -159.317 flat angles P-C4'-P energy: -108.506 tors. eta vs tors. theta energy: -151.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1567.430387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.430387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.430387 (E_RNA) where: Base-Base interactions energy: -893.329 where: short stacking energy: -512.400 Base-Backbone interact. energy: -3.113 local terms energy: -670.987973 where: bonds (distance) C4'-P energy: -156.699 bonds (distance) P-C4' energy: -155.620 flat angles C4'-P-C4' energy: -163.920 flat angles P-C4'-P energy: -102.831 tors. eta vs tors. theta energy: -91.917 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: 1 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1336.856736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.856736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.856736 (E_RNA) where: Base-Base interactions energy: -672.762 where: short stacking energy: -434.028 Base-Backbone interact. energy: -3.658 local terms energy: -660.436739 where: bonds (distance) C4'-P energy: -138.490 bonds (distance) P-C4' energy: -177.230 flat angles C4'-P-C4' energy: -153.088 flat angles P-C4'-P energy: -98.434 tors. eta vs tors. theta energy: -93.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1420.960054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.960054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.960054 (E_RNA) where: Base-Base interactions energy: -794.651 where: short stacking energy: -446.680 Base-Backbone interact. energy: -3.025 local terms energy: -623.283643 where: bonds (distance) C4'-P energy: -153.311 bonds (distance) P-C4' energy: -128.896 flat angles C4'-P-C4' energy: -153.898 flat angles P-C4'-P energy: -93.378 tors. eta vs tors. theta energy: -93.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1284.644989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.644989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.644989 (E_RNA) where: Base-Base interactions energy: -680.870 where: short stacking energy: -411.924 Base-Backbone interact. energy: 2.164 local terms energy: -605.938905 where: bonds (distance) C4'-P energy: -128.188 bonds (distance) P-C4' energy: -150.338 flat angles C4'-P-C4' energy: -158.558 flat angles P-C4'-P energy: -88.560 tors. eta vs tors. theta energy: -80.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -975.260474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.260474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.260474 (E_RNA) where: Base-Base interactions energy: -460.815 where: short stacking energy: -322.078 Base-Backbone interact. energy: 13.603 local terms energy: -528.048445 where: bonds (distance) C4'-P energy: -150.785 bonds (distance) P-C4' energy: -133.205 flat angles C4'-P-C4' energy: -129.472 flat angles P-C4'-P energy: -79.737 tors. eta vs tors. theta energy: -34.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -816.377223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.377223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.377223 (E_RNA) where: Base-Base interactions energy: -320.049 where: short stacking energy: -240.132 Base-Backbone interact. energy: -3.894 local terms energy: -492.433892 where: bonds (distance) C4'-P energy: -131.689 bonds (distance) P-C4' energy: -147.701 flat angles C4'-P-C4' energy: -115.388 flat angles P-C4'-P energy: -80.742 tors. eta vs tors. theta energy: -16.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -716.268005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.268005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.268005 (E_RNA) where: Base-Base interactions energy: -265.952 where: short stacking energy: -187.572 Base-Backbone interact. energy: 1.212 local terms energy: -451.528537 where: bonds (distance) C4'-P energy: -123.568 bonds (distance) P-C4' energy: -152.732 flat angles C4'-P-C4' energy: -118.754 flat angles P-C4'-P energy: -83.164 tors. eta vs tors. theta energy: 26.689 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: 8 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -607.301765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.301765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.301765 (E_RNA) where: Base-Base interactions energy: -191.692 where: short stacking energy: -161.634 Base-Backbone interact. energy: 1.391 local terms energy: -417.000549 where: bonds (distance) C4'-P energy: -139.611 bonds (distance) P-C4' energy: -140.165 flat angles C4'-P-C4' energy: -124.240 flat angles P-C4'-P energy: -57.630 tors. eta vs tors. theta energy: 44.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1872.815965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.815965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.815965 (E_RNA) where: Base-Base interactions energy: -1127.971 where: short stacking energy: -628.195 Base-Backbone interact. energy: -3.894 local terms energy: -740.951081 where: bonds (distance) C4'-P energy: -164.843 bonds (distance) P-C4' energy: -164.593 flat angles C4'-P-C4' energy: -172.137 flat angles P-C4'-P energy: -99.274 tors. eta vs tors. theta energy: -140.104 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: 6 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1781.381937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.381937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.381937 (E_RNA) where: Base-Base interactions energy: -1039.996 where: short stacking energy: -561.854 Base-Backbone interact. energy: -2.637 local terms energy: -738.748921 where: bonds (distance) C4'-P energy: -173.331 bonds (distance) P-C4' energy: -162.087 flat angles C4'-P-C4' energy: -165.652 flat angles P-C4'-P energy: -109.877 tors. eta vs tors. theta energy: -127.803 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: 2 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1705.903724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.903724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.903724 (E_RNA) where: Base-Base interactions energy: -976.990 where: short stacking energy: -515.529 Base-Backbone interact. energy: 1.957 local terms energy: -730.871061 where: bonds (distance) C4'-P energy: -158.151 bonds (distance) P-C4' energy: -182.358 flat angles C4'-P-C4' energy: -160.618 flat angles P-C4'-P energy: -115.719 tors. eta vs tors. theta energy: -114.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1602.358488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.358488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.358488 (E_RNA) where: Base-Base interactions energy: -929.079 where: short stacking energy: -509.925 Base-Backbone interact. energy: 3.081 local terms energy: -676.360543 where: bonds (distance) C4'-P energy: -124.955 bonds (distance) P-C4' energy: -160.123 flat angles C4'-P-C4' energy: -152.935 flat angles P-C4'-P energy: -115.062 tors. eta vs tors. theta energy: -123.286 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: 5, replica: 1 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1175.007973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.007973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.007973 (E_RNA) where: Base-Base interactions energy: -592.413 where: short stacking energy: -394.088 Base-Backbone interact. energy: 1.725 local terms energy: -584.320231 where: bonds (distance) C4'-P energy: -136.421 bonds (distance) P-C4' energy: -146.636 flat angles C4'-P-C4' energy: -148.123 flat angles P-C4'-P energy: -85.862 tors. eta vs tors. theta energy: -67.279 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: 4 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1308.993143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.993143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.993143 (E_RNA) where: Base-Base interactions energy: -690.497 where: short stacking energy: -402.912 Base-Backbone interact. energy: -0.000 local terms energy: -618.496256 where: bonds (distance) C4'-P energy: -165.014 bonds (distance) P-C4' energy: -139.416 flat angles C4'-P-C4' energy: -144.978 flat angles P-C4'-P energy: -95.638 tors. eta vs tors. theta energy: -73.451 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: 10 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1039.957780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.957780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.957780 (E_RNA) where: Base-Base interactions energy: -541.619 where: short stacking energy: -329.496 Base-Backbone interact. energy: 3.879 local terms energy: -502.217976 where: bonds (distance) C4'-P energy: -95.793 bonds (distance) P-C4' energy: -154.852 flat angles C4'-P-C4' energy: -126.255 flat angles P-C4'-P energy: -80.630 tors. eta vs tors. theta energy: -44.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -865.068858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.068858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.068858 (E_RNA) where: Base-Base interactions energy: -386.876 where: short stacking energy: -230.597 Base-Backbone interact. energy: -3.454 local terms energy: -474.738769 where: bonds (distance) C4'-P energy: -139.571 bonds (distance) P-C4' energy: -154.786 flat angles C4'-P-C4' energy: -111.620 flat angles P-C4'-P energy: -75.653 tors. eta vs tors. theta energy: 6.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -680.005132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.005132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.005132 (E_RNA) where: Base-Base interactions energy: -226.841 where: short stacking energy: -192.009 Base-Backbone interact. energy: -3.081 local terms energy: -450.082492 where: bonds (distance) C4'-P energy: -117.776 bonds (distance) P-C4' energy: -151.495 flat angles C4'-P-C4' energy: -121.849 flat angles P-C4'-P energy: -74.571 tors. eta vs tors. theta energy: 15.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -606.404349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.404349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.404349 (E_RNA) where: Base-Base interactions energy: -206.847 where: short stacking energy: -173.831 Base-Backbone interact. energy: -1.201 local terms energy: -398.356987 where: bonds (distance) C4'-P energy: -117.735 bonds (distance) P-C4' energy: -136.369 flat angles C4'-P-C4' energy: -105.105 flat angles P-C4'-P energy: -68.468 tors. eta vs tors. theta energy: 29.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1889.888152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.888152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.888152 (E_RNA) where: Base-Base interactions energy: -1104.113 where: short stacking energy: -637.997 Base-Backbone interact. energy: -1.029 local terms energy: -784.746068 where: bonds (distance) C4'-P energy: -162.517 bonds (distance) P-C4' energy: -173.159 flat angles C4'-P-C4' energy: -181.511 flat angles P-C4'-P energy: -105.622 tors. eta vs tors. theta energy: -161.937 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: 20 Temperature: 0.950000 Total energy: -1779.460496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.460496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.460496 (E_RNA) where: Base-Base interactions energy: -1060.630 where: short stacking energy: -565.305 Base-Backbone interact. energy: 1.517 local terms energy: -720.347238 where: bonds (distance) C4'-P energy: -153.675 bonds (distance) P-C4' energy: -161.061 flat angles C4'-P-C4' energy: -171.806 flat angles P-C4'-P energy: -108.838 tors. eta vs tors. theta energy: -124.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1698.472489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.472489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.472489 (E_RNA) where: Base-Base interactions energy: -990.872 where: short stacking energy: -571.889 Base-Backbone interact. energy: -7.798 local terms energy: -699.802412 where: bonds (distance) C4'-P energy: -148.475 bonds (distance) P-C4' energy: -153.841 flat angles C4'-P-C4' energy: -159.717 flat angles P-C4'-P energy: -107.625 tors. eta vs tors. theta energy: -130.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1577.781325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.781325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.781325 (E_RNA) where: Base-Base interactions energy: -945.235 where: short stacking energy: -511.763 Base-Backbone interact. energy: 4.637 local terms energy: -637.183464 where: bonds (distance) C4'-P energy: -151.865 bonds (distance) P-C4' energy: -145.070 flat angles C4'-P-C4' energy: -138.064 flat angles P-C4'-P energy: -94.159 tors. eta vs tors. theta energy: -108.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1373.018907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.018907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.018907 (E_RNA) where: Base-Base interactions energy: -747.636 where: short stacking energy: -440.568 Base-Backbone interact. energy: -1.280 local terms energy: -624.103013 where: bonds (distance) C4'-P energy: -137.807 bonds (distance) P-C4' energy: -139.608 flat angles C4'-P-C4' energy: -160.893 flat angles P-C4'-P energy: -91.719 tors. eta vs tors. theta energy: -94.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1099.707259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.707259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.707259 (E_RNA) where: Base-Base interactions energy: -517.569 where: short stacking energy: -346.590 Base-Backbone interact. energy: -1.751 local terms energy: -580.387190 where: bonds (distance) C4'-P energy: -157.206 bonds (distance) P-C4' energy: -150.596 flat angles C4'-P-C4' energy: -136.736 flat angles P-C4'-P energy: -75.990 tors. eta vs tors. theta energy: -59.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1047.904086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.904086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.904086 (E_RNA) where: Base-Base interactions energy: -555.907 where: short stacking energy: -328.076 Base-Backbone interact. energy: 4.926 local terms energy: -496.922564 where: bonds (distance) C4'-P energy: -114.974 bonds (distance) P-C4' energy: -149.262 flat angles C4'-P-C4' energy: -137.664 flat angles P-C4'-P energy: -74.609 tors. eta vs tors. theta energy: -20.413 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: 20 Temperature: 1.250000 Total energy: -981.415181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.415181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.415181 (E_RNA) where: Base-Base interactions energy: -452.680 where: short stacking energy: -274.252 Base-Backbone interact. energy: 4.899 local terms energy: -533.634737 where: bonds (distance) C4'-P energy: -151.607 bonds (distance) P-C4' energy: -148.357 flat angles C4'-P-C4' energy: -137.335 flat angles P-C4'-P energy: -78.241 tors. eta vs tors. theta energy: -18.094 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: 8 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -652.549507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.549507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.549507 (E_RNA) where: Base-Base interactions energy: -195.581 where: short stacking energy: -165.311 Base-Backbone interact. energy: 7.785 local terms energy: -464.752815 where: bonds (distance) C4'-P energy: -134.499 bonds (distance) P-C4' energy: -138.042 flat angles C4'-P-C4' energy: -134.714 flat angles P-C4'-P energy: -75.176 tors. eta vs tors. theta energy: 17.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -635.580260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.580260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.580260 (E_RNA) where: Base-Base interactions energy: -232.188 where: short stacking energy: -195.429 Base-Backbone interact. energy: -1.332 local terms energy: -402.061027 where: bonds (distance) C4'-P energy: -114.251 bonds (distance) P-C4' energy: -129.783 flat angles C4'-P-C4' energy: -119.990 flat angles P-C4'-P energy: -53.876 tors. eta vs tors. theta energy: 15.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1864.205535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.205535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.205535 (E_RNA) where: Base-Base interactions energy: -1081.796 where: short stacking energy: -659.443 Base-Backbone interact. energy: 3.420 local terms energy: -785.829199 where: bonds (distance) C4'-P energy: -152.726 bonds (distance) P-C4' energy: -168.260 flat angles C4'-P-C4' energy: -184.481 flat angles P-C4'-P energy: -115.724 tors. eta vs tors. theta energy: -164.639 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: 21 Temperature: 0.950000 Total energy: -1892.704166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.704166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.704166 (E_RNA) where: Base-Base interactions energy: -1174.282 where: short stacking energy: -621.066 Base-Backbone interact. energy: -4.401 local terms energy: -714.020516 where: bonds (distance) C4'-P energy: -131.178 bonds (distance) P-C4' energy: -160.721 flat angles C4'-P-C4' energy: -161.486 flat angles P-C4'-P energy: -107.941 tors. eta vs tors. theta energy: -152.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1719.348124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.348124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.348124 (E_RNA) where: Base-Base interactions energy: -996.181 where: short stacking energy: -546.772 Base-Backbone interact. energy: 0.677 local terms energy: -723.843831 where: bonds (distance) C4'-P energy: -151.168 bonds (distance) P-C4' energy: -165.803 flat angles C4'-P-C4' energy: -157.957 flat angles P-C4'-P energy: -113.737 tors. eta vs tors. theta energy: -135.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1614.540617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.540617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.540617 (E_RNA) where: Base-Base interactions energy: -943.094 where: short stacking energy: -526.029 Base-Backbone interact. energy: -3.547 local terms energy: -667.899923 where: bonds (distance) C4'-P energy: -143.724 bonds (distance) P-C4' energy: -179.364 flat angles C4'-P-C4' energy: -144.340 flat angles P-C4'-P energy: -85.695 tors. eta vs tors. theta energy: -114.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1446.808722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.808722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.808722 (E_RNA) where: Base-Base interactions energy: -806.141 where: short stacking energy: -446.921 Base-Backbone interact. energy: -2.108 local terms energy: -638.559448 where: bonds (distance) C4'-P energy: -154.045 bonds (distance) P-C4' energy: -150.695 flat angles C4'-P-C4' energy: -152.857 flat angles P-C4'-P energy: -85.777 tors. eta vs tors. theta energy: -95.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1186.196819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.196819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.196819 (E_RNA) where: Base-Base interactions energy: -628.054 where: short stacking energy: -334.819 Base-Backbone interact. energy: 4.121 local terms energy: -562.263844 where: bonds (distance) C4'-P energy: -139.279 bonds (distance) P-C4' energy: -151.447 flat angles C4'-P-C4' energy: -154.348 flat angles P-C4'-P energy: -91.271 tors. eta vs tors. theta energy: -25.919 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: 1 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1031.119506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.119506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.119506 (E_RNA) where: Base-Base interactions energy: -501.131 where: short stacking energy: -298.695 Base-Backbone interact. energy: 10.425 local terms energy: -540.413914 where: bonds (distance) C4'-P energy: -128.151 bonds (distance) P-C4' energy: -156.084 flat angles C4'-P-C4' energy: -126.548 flat angles P-C4'-P energy: -88.292 tors. eta vs tors. theta energy: -41.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -974.559539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.559539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.559539 (E_RNA) where: Base-Base interactions energy: -497.353 where: short stacking energy: -294.507 Base-Backbone interact. energy: 3.272 local terms energy: -480.478747 where: bonds (distance) C4'-P energy: -141.068 bonds (distance) P-C4' energy: -147.011 flat angles C4'-P-C4' energy: -117.406 flat angles P-C4'-P energy: -66.412 tors. eta vs tors. theta energy: -8.582 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: 8 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -697.778871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.778871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.778871 (E_RNA) where: Base-Base interactions energy: -258.675 where: short stacking energy: -213.715 Base-Backbone interact. energy: 3.012 local terms energy: -442.116288 where: bonds (distance) C4'-P energy: -126.619 bonds (distance) P-C4' energy: -142.140 flat angles C4'-P-C4' energy: -122.557 flat angles P-C4'-P energy: -62.543 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: 10, replica: 7 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -650.408608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.408608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.408608 (E_RNA) where: Base-Base interactions energy: -241.491 where: short stacking energy: -174.825 Base-Backbone interact. energy: -2.626 local terms energy: -406.291685 where: bonds (distance) C4'-P energy: -135.821 bonds (distance) P-C4' energy: -148.684 flat angles C4'-P-C4' energy: -114.491 flat angles P-C4'-P energy: -40.723 tors. eta vs tors. theta energy: 33.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1861.993701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.993701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.993701 (E_RNA) where: Base-Base interactions energy: -1089.830 where: short stacking energy: -647.633 Base-Backbone interact. energy: -3.787 local terms energy: -768.377479 where: bonds (distance) C4'-P energy: -153.198 bonds (distance) P-C4' energy: -170.897 flat angles C4'-P-C4' energy: -170.923 flat angles P-C4'-P energy: -115.293 tors. eta vs tors. theta energy: -158.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1993.120162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.120162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.120162 (E_RNA) where: Base-Base interactions energy: -1273.989 where: short stacking energy: -641.141 Base-Backbone interact. energy: -2.867 local terms energy: -716.263590 where: bonds (distance) C4'-P energy: -130.674 bonds (distance) P-C4' energy: -147.704 flat angles C4'-P-C4' energy: -166.480 flat angles P-C4'-P energy: -96.138 tors. eta vs tors. theta energy: -175.268 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: 22 Temperature: 1.000000 Total energy: -1774.183204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.183204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.183204 (E_RNA) where: Base-Base interactions energy: -1023.924 where: short stacking energy: -562.728 Base-Backbone interact. energy: -1.577 local terms energy: -748.682466 where: bonds (distance) C4'-P energy: -165.382 bonds (distance) P-C4' energy: -152.355 flat angles C4'-P-C4' energy: -172.679 flat angles P-C4'-P energy: -112.560 tors. eta vs tors. theta energy: -145.706 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: 3 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1660.429439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.429439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.429439 (E_RNA) where: Base-Base interactions energy: -962.544 where: short stacking energy: -551.157 Base-Backbone interact. energy: -0.551 local terms energy: -697.333725 where: bonds (distance) C4'-P energy: -139.874 bonds (distance) P-C4' energy: -137.361 flat angles C4'-P-C4' energy: -169.687 flat angles P-C4'-P energy: -110.109 tors. eta vs tors. theta energy: -140.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1564.206921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.206921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.206921 (E_RNA) where: Base-Base interactions energy: -918.240 where: short stacking energy: -458.688 Base-Backbone interact. energy: -1.218 local terms energy: -644.749337 where: bonds (distance) C4'-P energy: -136.847 bonds (distance) P-C4' energy: -158.783 flat angles C4'-P-C4' energy: -149.494 flat angles P-C4'-P energy: -108.367 tors. eta vs tors. theta energy: -91.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1220.973483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.973483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.973483 (E_RNA) where: Base-Base interactions energy: -622.473 where: short stacking energy: -359.959 Base-Backbone interact. energy: -0.133 local terms energy: -598.368054 where: bonds (distance) C4'-P energy: -147.311 bonds (distance) P-C4' energy: -154.149 flat angles C4'-P-C4' energy: -145.791 flat angles P-C4'-P energy: -105.828 tors. eta vs tors. theta energy: -45.289 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: 7, replica: 1 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1015.939739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.939739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.939739 (E_RNA) where: Base-Base interactions energy: -481.746 where: short stacking energy: -317.326 Base-Backbone interact. energy: 1.070 local terms energy: -535.263263 where: bonds (distance) C4'-P energy: -140.869 bonds (distance) P-C4' energy: -153.595 flat angles C4'-P-C4' energy: -130.710 flat angles P-C4'-P energy: -75.494 tors. eta vs tors. theta energy: -34.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -961.685630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.685630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.685630 (E_RNA) where: Base-Base interactions energy: -458.938 where: short stacking energy: -280.342 Base-Backbone interact. energy: -3.607 local terms energy: -499.140091 where: bonds (distance) C4'-P energy: -154.458 bonds (distance) P-C4' energy: -151.674 flat angles C4'-P-C4' energy: -103.992 flat angles P-C4'-P energy: -81.337 tors. eta vs tors. theta energy: -7.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -775.165253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.165253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.165253 (E_RNA) where: Base-Base interactions energy: -308.267 where: short stacking energy: -199.855 Base-Backbone interact. energy: -5.160 local terms energy: -461.737886 where: bonds (distance) C4'-P energy: -134.684 bonds (distance) P-C4' energy: -131.911 flat angles C4'-P-C4' energy: -110.239 flat angles P-C4'-P energy: -91.117 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: 10, replica: 8 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -690.078065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.078065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.078065 (E_RNA) where: Base-Base interactions energy: -261.800 where: short stacking energy: -177.393 Base-Backbone interact. energy: 0.398 local terms energy: -428.675349 where: bonds (distance) C4'-P energy: -130.094 bonds (distance) P-C4' energy: -153.542 flat angles C4'-P-C4' energy: -119.074 flat angles P-C4'-P energy: -59.960 tors. eta vs tors. theta energy: 33.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1919.330140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.330140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.330140 (E_RNA) where: Base-Base interactions energy: -1156.446 where: short stacking energy: -654.365 Base-Backbone interact. energy: 0.241 local terms energy: -763.125657 where: bonds (distance) C4'-P energy: -147.347 bonds (distance) P-C4' energy: -167.417 flat angles C4'-P-C4' energy: -167.450 flat angles P-C4'-P energy: -115.140 tors. eta vs tors. theta energy: -165.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1912.279886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.279886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.279886 (E_RNA) where: Base-Base interactions energy: -1186.046 where: short stacking energy: -591.420 Base-Backbone interact. energy: -2.241 local terms energy: -723.993133 where: bonds (distance) C4'-P energy: -163.005 bonds (distance) P-C4' energy: -154.223 flat angles C4'-P-C4' energy: -161.063 flat angles P-C4'-P energy: -95.158 tors. eta vs tors. theta energy: -150.544 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: 3, replica: 2 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1761.026261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.026261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.026261 (E_RNA) where: Base-Base interactions energy: -1050.513 where: short stacking energy: -570.941 Base-Backbone interact. energy: 0.737 local terms energy: -711.250310 where: bonds (distance) C4'-P energy: -149.878 bonds (distance) P-C4' energy: -163.627 flat angles C4'-P-C4' energy: -142.587 flat angles P-C4'-P energy: -116.883 tors. eta vs tors. theta energy: -138.275 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: 4, replica: 3 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1648.910837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.910837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.910837 (E_RNA) where: Base-Base interactions energy: -960.493 where: short stacking energy: -529.216 Base-Backbone interact. energy: -2.291 local terms energy: -686.126963 where: bonds (distance) C4'-P energy: -138.729 bonds (distance) P-C4' energy: -157.621 flat angles C4'-P-C4' energy: -155.300 flat angles P-C4'-P energy: -106.638 tors. eta vs tors. theta energy: -127.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1616.369991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.369991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.369991 (E_RNA) where: Base-Base interactions energy: -985.055 where: short stacking energy: -509.119 Base-Backbone interact. energy: 7.177 local terms energy: -638.492089 where: bonds (distance) C4'-P energy: -145.390 bonds (distance) P-C4' energy: -150.440 flat angles C4'-P-C4' energy: -141.710 flat angles P-C4'-P energy: -99.505 tors. eta vs tors. theta energy: -101.447 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: 10 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1238.981750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.981750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.981750 (E_RNA) where: Base-Base interactions energy: -659.730 where: short stacking energy: -343.976 Base-Backbone interact. energy: 2.905 local terms energy: -582.157089 where: bonds (distance) C4'-P energy: -140.500 bonds (distance) P-C4' energy: -137.045 flat angles C4'-P-C4' energy: -147.793 flat angles P-C4'-P energy: -88.377 tors. eta vs tors. theta energy: -68.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -994.677092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.677092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.677092 (E_RNA) where: Base-Base interactions energy: -460.203 where: short stacking energy: -299.310 Base-Backbone interact. energy: 0.014 local terms energy: -534.487768 where: bonds (distance) C4'-P energy: -123.739 bonds (distance) P-C4' energy: -144.309 flat angles C4'-P-C4' energy: -143.864 flat angles P-C4'-P energy: -86.578 tors. eta vs tors. theta energy: -35.999 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: 9 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -946.574952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.574952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.574952 (E_RNA) where: Base-Base interactions energy: -466.539 where: short stacking energy: -261.664 Base-Backbone interact. energy: -0.661 local terms energy: -479.374318 where: bonds (distance) C4'-P energy: -141.185 bonds (distance) P-C4' energy: -130.960 flat angles C4'-P-C4' energy: -119.185 flat angles P-C4'-P energy: -82.822 tors. eta vs tors. theta energy: -5.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -708.365783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.365783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.365783 (E_RNA) where: Base-Base interactions energy: -277.018 where: short stacking energy: -219.023 Base-Backbone interact. energy: 1.012 local terms energy: -432.360378 where: bonds (distance) C4'-P energy: -138.485 bonds (distance) P-C4' energy: -146.301 flat angles C4'-P-C4' energy: -103.167 flat angles P-C4'-P energy: -54.741 tors. eta vs tors. theta energy: 10.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -651.734677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.734677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.734677 (E_RNA) where: Base-Base interactions energy: -256.297 where: short stacking energy: -191.958 Base-Backbone interact. energy: -4.086 local terms energy: -391.351906 where: bonds (distance) C4'-P energy: -100.176 bonds (distance) P-C4' energy: -137.458 flat angles C4'-P-C4' energy: -124.754 flat angles P-C4'-P energy: -66.620 tors. eta vs tors. theta energy: 37.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1969.232077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.232077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.232077 (E_RNA) where: Base-Base interactions energy: -1188.980 where: short stacking energy: -650.942 Base-Backbone interact. energy: 0.727 local terms energy: -780.978292 where: bonds (distance) C4'-P energy: -153.405 bonds (distance) P-C4' energy: -159.695 flat angles C4'-P-C4' energy: -182.702 flat angles P-C4'-P energy: -121.269 tors. eta vs tors. theta energy: -163.907 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: 6 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1986.820428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.820428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.820428 (E_RNA) where: Base-Base interactions energy: -1242.730 where: short stacking energy: -686.219 Base-Backbone interact. energy: -1.642 local terms energy: -742.447925 where: bonds (distance) C4'-P energy: -160.587 bonds (distance) P-C4' energy: -143.238 flat angles C4'-P-C4' energy: -172.109 flat angles P-C4'-P energy: -100.076 tors. eta vs tors. theta energy: -166.439 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: 2 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1766.300465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.300465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.300465 (E_RNA) where: Base-Base interactions energy: -1058.933 where: short stacking energy: -565.918 Base-Backbone interact. energy: 1.163 local terms energy: -708.530267 where: bonds (distance) C4'-P energy: -161.931 bonds (distance) P-C4' energy: -147.100 flat angles C4'-P-C4' energy: -164.592 flat angles P-C4'-P energy: -101.590 tors. eta vs tors. theta energy: -133.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1649.007543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.007543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.007543 (E_RNA) where: Base-Base interactions energy: -973.398 where: short stacking energy: -523.889 Base-Backbone interact. energy: -5.440 local terms energy: -670.170171 where: bonds (distance) C4'-P energy: -147.213 bonds (distance) P-C4' energy: -166.052 flat angles C4'-P-C4' energy: -159.621 flat angles P-C4'-P energy: -71.470 tors. eta vs tors. theta energy: -125.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1619.099215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.099215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.099215 (E_RNA) where: Base-Base interactions energy: -943.589 where: short stacking energy: -497.288 Base-Backbone interact. energy: -1.774 local terms energy: -673.736390 where: bonds (distance) C4'-P energy: -134.489 bonds (distance) P-C4' energy: -155.877 flat angles C4'-P-C4' energy: -167.920 flat angles P-C4'-P energy: -101.886 tors. eta vs tors. theta energy: -113.565 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: 10 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1283.283100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.283100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.283100 (E_RNA) where: Base-Base interactions energy: -738.356 where: short stacking energy: -378.249 Base-Backbone interact. energy: 1.132 local terms energy: -546.059171 where: bonds (distance) C4'-P energy: -138.713 bonds (distance) P-C4' energy: -132.791 flat angles C4'-P-C4' energy: -127.383 flat angles P-C4'-P energy: -74.710 tors. eta vs tors. theta energy: -72.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1133.016646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.016646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.016646 (E_RNA) where: Base-Base interactions energy: -599.759 where: short stacking energy: -333.606 Base-Backbone interact. energy: -1.712 local terms energy: -531.545586 where: bonds (distance) C4'-P energy: -125.370 bonds (distance) P-C4' energy: -144.104 flat angles C4'-P-C4' energy: -139.429 flat angles P-C4'-P energy: -83.534 tors. eta vs tors. theta energy: -39.108 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: 24 Temperature: 1.250000 Total energy: -890.109779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.109779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.109779 (E_RNA) where: Base-Base interactions energy: -413.080 where: short stacking energy: -277.933 Base-Backbone interact. energy: 1.683 local terms energy: -478.712974 where: bonds (distance) C4'-P energy: -158.432 bonds (distance) P-C4' energy: -141.483 flat angles C4'-P-C4' energy: -120.292 flat angles P-C4'-P energy: -62.618 tors. eta vs tors. theta energy: 4.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -709.096523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.096523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.096523 (E_RNA) where: Base-Base interactions energy: -284.006 where: short stacking energy: -233.887 Base-Backbone interact. energy: 1.919 local terms energy: -427.010353 where: bonds (distance) C4'-P energy: -124.949 bonds (distance) P-C4' energy: -136.378 flat angles C4'-P-C4' energy: -110.372 flat angles P-C4'-P energy: -59.483 tors. eta vs tors. theta energy: 4.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -635.106257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.106257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.106257 (E_RNA) where: Base-Base interactions energy: -231.018 where: short stacking energy: -175.525 Base-Backbone interact. energy: 6.660 local terms energy: -410.748726 where: bonds (distance) C4'-P energy: -114.124 bonds (distance) P-C4' energy: -145.879 flat angles C4'-P-C4' energy: -114.600 flat angles P-C4'-P energy: -63.686 tors. eta vs tors. theta energy: 27.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1938.907850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.907850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.907850 (E_RNA) where: Base-Base interactions energy: -1175.960 where: short stacking energy: -663.764 Base-Backbone interact. energy: 0.260 local terms energy: -763.207981 where: bonds (distance) C4'-P energy: -156.442 bonds (distance) P-C4' energy: -173.118 flat angles C4'-P-C4' energy: -174.108 flat angles P-C4'-P energy: -93.021 tors. eta vs tors. theta energy: -166.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1970.392800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.392800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.392800 (E_RNA) where: Base-Base interactions energy: -1218.740 where: short stacking energy: -628.801 Base-Backbone interact. energy: -2.220 local terms energy: -749.433692 where: bonds (distance) C4'-P energy: -154.707 bonds (distance) P-C4' energy: -167.322 flat angles C4'-P-C4' energy: -158.233 flat angles P-C4'-P energy: -107.680 tors. eta vs tors. theta energy: -161.491 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: 25 Temperature: 1.000000 Total energy: -1720.292379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.292379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.292379 (E_RNA) where: Base-Base interactions energy: -1020.145 where: short stacking energy: -548.078 Base-Backbone interact. energy: 7.808 local terms energy: -707.955345 where: bonds (distance) C4'-P energy: -156.904 bonds (distance) P-C4' energy: -157.549 flat angles C4'-P-C4' energy: -150.725 flat angles P-C4'-P energy: -112.697 tors. eta vs tors. theta energy: -130.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1674.680265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.680265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.680265 (E_RNA) where: Base-Base interactions energy: -1032.643 where: short stacking energy: -539.250 Base-Backbone interact. energy: -0.057 local terms energy: -641.979600 where: bonds (distance) C4'-P energy: -149.020 bonds (distance) P-C4' energy: -159.153 flat angles C4'-P-C4' energy: -150.686 flat angles P-C4'-P energy: -81.500 tors. eta vs tors. theta energy: -101.621 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: 5, replica: 3 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1657.840902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.840902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.840902 (E_RNA) where: Base-Base interactions energy: -990.812 where: short stacking energy: -516.149 Base-Backbone interact. energy: -0.325 local terms energy: -666.704734 where: bonds (distance) C4'-P energy: -160.601 bonds (distance) P-C4' energy: -145.752 flat angles C4'-P-C4' energy: -159.535 flat angles P-C4'-P energy: -88.292 tors. eta vs tors. theta energy: -112.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1323.251527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.251527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.251527 (E_RNA) where: Base-Base interactions energy: -711.398 where: short stacking energy: -375.228 Base-Backbone interact. energy: -2.458 local terms energy: -609.395388 where: bonds (distance) C4'-P energy: -133.272 bonds (distance) P-C4' energy: -157.814 flat angles C4'-P-C4' energy: -142.733 flat angles P-C4'-P energy: -105.739 tors. eta vs tors. theta energy: -69.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1175.668581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.668581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.668581 (E_RNA) where: Base-Base interactions energy: -667.138 where: short stacking energy: -367.240 Base-Backbone interact. energy: -1.074 local terms energy: -507.456164 where: bonds (distance) C4'-P energy: -118.780 bonds (distance) P-C4' energy: -134.382 flat angles C4'-P-C4' energy: -134.376 flat angles P-C4'-P energy: -79.424 tors. eta vs tors. theta energy: -40.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -901.314187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.314187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.314187 (E_RNA) where: Base-Base interactions energy: -437.964 where: short stacking energy: -273.740 Base-Backbone interact. energy: -2.221 local terms energy: -461.129190 where: bonds (distance) C4'-P energy: -122.512 bonds (distance) P-C4' energy: -139.338 flat angles C4'-P-C4' energy: -123.863 flat angles P-C4'-P energy: -76.113 tors. eta vs tors. theta energy: 0.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -745.536911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.536911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.536911 (E_RNA) where: Base-Base interactions energy: -328.818 where: short stacking energy: -238.291 Base-Backbone interact. energy: -1.385 local terms energy: -415.334149 where: bonds (distance) C4'-P energy: -118.552 bonds (distance) P-C4' energy: -124.502 flat angles C4'-P-C4' energy: -122.188 flat angles P-C4'-P energy: -52.122 tors. eta vs tors. theta energy: 2.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -621.171988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.171988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.171988 (E_RNA) where: Base-Base interactions energy: -255.286 where: short stacking energy: -187.857 Base-Backbone interact. energy: 1.227 local terms energy: -367.113030 where: bonds (distance) C4'-P energy: -122.663 bonds (distance) P-C4' energy: -118.421 flat angles C4'-P-C4' energy: -114.540 flat angles P-C4'-P energy: -62.341 tors. eta vs tors. theta energy: 50.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2111.090726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.090726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.090726 (E_RNA) where: Base-Base interactions energy: -1325.480 where: short stacking energy: -665.147 Base-Backbone interact. energy: -2.262 local terms energy: -783.348909 where: bonds (distance) C4'-P energy: -169.090 bonds (distance) P-C4' energy: -163.712 flat angles C4'-P-C4' energy: -172.117 flat angles P-C4'-P energy: -108.636 tors. eta vs tors. theta energy: -169.794 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: 2, replica: 5 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1875.316202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.316202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.316202 (E_RNA) where: Base-Base interactions energy: -1097.716 where: short stacking energy: -652.901 Base-Backbone interact. energy: -0.468 local terms energy: -777.131694 where: bonds (distance) C4'-P energy: -168.885 bonds (distance) P-C4' energy: -160.172 flat angles C4'-P-C4' energy: -175.268 flat angles P-C4'-P energy: -100.060 tors. eta vs tors. theta energy: -172.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1723.701350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.701350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.701350 (E_RNA) where: Base-Base interactions energy: -1031.237 where: short stacking energy: -538.474 Base-Backbone interact. energy: -1.922 local terms energy: -690.542504 where: bonds (distance) C4'-P energy: -157.341 bonds (distance) P-C4' energy: -151.067 flat angles C4'-P-C4' energy: -168.772 flat angles P-C4'-P energy: -93.302 tors. eta vs tors. theta energy: -120.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1650.283205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.283205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.283205 (E_RNA) where: Base-Base interactions energy: -1011.766 where: short stacking energy: -534.280 Base-Backbone interact. energy: 2.035 local terms energy: -640.552164 where: bonds (distance) C4'-P energy: -144.276 bonds (distance) P-C4' energy: -161.449 flat angles C4'-P-C4' energy: -134.543 flat angles P-C4'-P energy: -94.419 tors. eta vs tors. theta energy: -105.866 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: 3 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1622.417575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.417575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.417575 (E_RNA) where: Base-Base interactions energy: -972.460 where: short stacking energy: -500.847 Base-Backbone interact. energy: -0.965 local terms energy: -648.992251 where: bonds (distance) C4'-P energy: -130.035 bonds (distance) P-C4' energy: -144.052 flat angles C4'-P-C4' energy: -148.055 flat angles P-C4'-P energy: -108.676 tors. eta vs tors. theta energy: -118.174 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: 10 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1303.705821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.705821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.705821 (E_RNA) where: Base-Base interactions energy: -747.035 where: short stacking energy: -414.384 Base-Backbone interact. energy: -2.052 local terms energy: -554.619081 where: bonds (distance) C4'-P energy: -130.164 bonds (distance) P-C4' energy: -163.729 flat angles C4'-P-C4' energy: -131.350 flat angles P-C4'-P energy: -58.212 tors. eta vs tors. theta energy: -71.164 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: 7, replica: 9 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1199.306906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.306906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.306906 (E_RNA) where: Base-Base interactions energy: -644.111 where: short stacking energy: -366.700 Base-Backbone interact. energy: -2.522 local terms energy: -552.673739 where: bonds (distance) C4'-P energy: -131.809 bonds (distance) P-C4' energy: -160.168 flat angles C4'-P-C4' energy: -132.905 flat angles P-C4'-P energy: -73.371 tors. eta vs tors. theta energy: -54.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -907.473937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.473937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.473937 (E_RNA) where: Base-Base interactions energy: -402.337 where: short stacking energy: -269.299 Base-Backbone interact. energy: -2.193 local terms energy: -502.943426 where: bonds (distance) C4'-P energy: -128.273 bonds (distance) P-C4' energy: -149.834 flat angles C4'-P-C4' energy: -130.404 flat angles P-C4'-P energy: -76.805 tors. eta vs tors. theta energy: -17.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -765.425221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.425221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.425221 (E_RNA) where: Base-Base interactions energy: -313.934 where: short stacking energy: -215.939 Base-Backbone interact. energy: -2.411 local terms energy: -449.079692 where: bonds (distance) C4'-P energy: -118.105 bonds (distance) P-C4' energy: -131.990 flat angles C4'-P-C4' energy: -119.832 flat angles P-C4'-P energy: -75.522 tors. eta vs tors. theta energy: -3.631 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: 8 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -694.080806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.080806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.080806 (E_RNA) where: Base-Base interactions energy: -279.184 where: short stacking energy: -168.614 Base-Backbone interact. energy: -2.991 local terms energy: -411.905848 where: bonds (distance) C4'-P energy: -145.071 bonds (distance) P-C4' energy: -130.448 flat angles C4'-P-C4' energy: -113.258 flat angles P-C4'-P energy: -62.008 tors. eta vs tors. theta energy: 38.880 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: 1, replica: 6 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2097.414686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.414686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.414686 (E_RNA) where: Base-Base interactions energy: -1332.114 where: short stacking energy: -665.097 Base-Backbone interact. energy: -3.991 local terms energy: -761.310491 where: bonds (distance) C4'-P energy: -160.980 bonds (distance) P-C4' energy: -167.599 flat angles C4'-P-C4' energy: -172.249 flat angles P-C4'-P energy: -102.577 tors. eta vs tors. theta energy: -157.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1821.241405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.241405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.241405 (E_RNA) where: Base-Base interactions energy: -1119.187 where: short stacking energy: -611.700 Base-Backbone interact. energy: 1.237 local terms energy: -703.292180 where: bonds (distance) C4'-P energy: -151.353 bonds (distance) P-C4' energy: -158.322 flat angles C4'-P-C4' energy: -157.949 flat angles P-C4'-P energy: -91.795 tors. eta vs tors. theta energy: -143.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1762.104892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.104892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.104892 (E_RNA) where: Base-Base interactions energy: -1061.070 where: short stacking energy: -579.497 Base-Backbone interact. energy: 0.321 local terms energy: -701.356065 where: bonds (distance) C4'-P energy: -152.022 bonds (distance) P-C4' energy: -162.737 flat angles C4'-P-C4' energy: -166.912 flat angles P-C4'-P energy: -97.410 tors. eta vs tors. theta energy: -122.275 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: 4, replica: 4 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1727.636389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.636389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.636389 (E_RNA) where: Base-Base interactions energy: -1039.008 where: short stacking energy: -558.167 Base-Backbone interact. energy: 1.126 local terms energy: -689.754293 where: bonds (distance) C4'-P energy: -139.900 bonds (distance) P-C4' energy: -163.254 flat angles C4'-P-C4' energy: -166.570 flat angles P-C4'-P energy: -91.232 tors. eta vs tors. theta energy: -128.800 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: 3 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1678.841877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.841877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.841877 (E_RNA) where: Base-Base interactions energy: -1008.599 where: short stacking energy: -521.232 Base-Backbone interact. energy: 0.765 local terms energy: -671.007643 where: bonds (distance) C4'-P energy: -145.955 bonds (distance) P-C4' energy: -148.526 flat angles C4'-P-C4' energy: -161.200 flat angles P-C4'-P energy: -97.348 tors. eta vs tors. theta energy: -117.979 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: 6, replica: 10 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1321.110526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.110526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.110526 (E_RNA) where: Base-Base interactions energy: -741.117 where: short stacking energy: -381.869 Base-Backbone interact. energy: -0.810 local terms energy: -579.183918 where: bonds (distance) C4'-P energy: -150.581 bonds (distance) P-C4' energy: -142.841 flat angles C4'-P-C4' energy: -152.348 flat angles P-C4'-P energy: -72.278 tors. eta vs tors. theta energy: -61.136 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: 7, replica: 9 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1208.501665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.501665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.501665 (E_RNA) where: Base-Base interactions energy: -614.773 where: short stacking energy: -347.521 Base-Backbone interact. energy: -2.333 local terms energy: -591.396007 where: bonds (distance) C4'-P energy: -137.467 bonds (distance) P-C4' energy: -157.763 flat angles C4'-P-C4' energy: -142.666 flat angles P-C4'-P energy: -86.739 tors. eta vs tors. theta energy: -66.760 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: 8, replica: 1 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -861.567817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.567817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.567817 (E_RNA) where: Base-Base interactions energy: -408.826 where: short stacking energy: -277.352 Base-Backbone interact. energy: 4.325 local terms energy: -457.066970 where: bonds (distance) C4'-P energy: -118.223 bonds (distance) P-C4' energy: -124.963 flat angles C4'-P-C4' energy: -107.435 flat angles P-C4'-P energy: -76.533 tors. eta vs tors. theta energy: -29.914 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: 7 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -783.325924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.325924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.325924 (E_RNA) where: Base-Base interactions energy: -348.313 where: short stacking energy: -237.876 Base-Backbone interact. energy: -1.047 local terms energy: -433.966175 where: bonds (distance) C4'-P energy: -138.387 bonds (distance) P-C4' energy: -137.837 flat angles C4'-P-C4' energy: -122.534 flat angles P-C4'-P energy: -55.700 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: 8 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -767.028065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.028065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.028065 (E_RNA) where: Base-Base interactions energy: -337.844 where: short stacking energy: -222.559 Base-Backbone interact. energy: 6.999 local terms energy: -436.182950 where: bonds (distance) C4'-P energy: -120.580 bonds (distance) P-C4' energy: -149.018 flat angles C4'-P-C4' energy: -101.834 flat angles P-C4'-P energy: -59.966 tors. eta vs tors. theta energy: -4.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2154.194440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.194440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.194440 (E_RNA) where: Base-Base interactions energy: -1363.222 where: short stacking energy: -650.909 Base-Backbone interact. energy: -0.974 local terms energy: -789.998575 where: bonds (distance) C4'-P energy: -156.677 bonds (distance) P-C4' energy: -160.001 flat angles C4'-P-C4' energy: -193.929 flat angles P-C4'-P energy: -113.347 tors. eta vs tors. theta energy: -166.045 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: 5 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1845.181639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.181639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.181639 (E_RNA) where: Base-Base interactions energy: -1129.982 where: short stacking energy: -600.818 Base-Backbone interact. energy: -6.084 local terms energy: -709.115571 where: bonds (distance) C4'-P energy: -158.798 bonds (distance) P-C4' energy: -154.099 flat angles C4'-P-C4' energy: -163.552 flat angles P-C4'-P energy: -104.616 tors. eta vs tors. theta energy: -128.050 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: 4 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1860.575016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.575016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.575016 (E_RNA) where: Base-Base interactions energy: -1127.891 where: short stacking energy: -562.330 Base-Backbone interact. energy: -0.277 local terms energy: -732.406906 where: bonds (distance) C4'-P energy: -147.610 bonds (distance) P-C4' energy: -166.525 flat angles C4'-P-C4' energy: -167.701 flat angles P-C4'-P energy: -95.118 tors. eta vs tors. theta energy: -155.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1606.964754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.964754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.964754 (E_RNA) where: Base-Base interactions energy: -968.041 where: short stacking energy: -501.963 Base-Backbone interact. energy: 4.899 local terms energy: -643.822722 where: bonds (distance) C4'-P energy: -148.538 bonds (distance) P-C4' energy: -152.480 flat angles C4'-P-C4' energy: -148.278 flat angles P-C4'-P energy: -81.524 tors. eta vs tors. theta energy: -113.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1696.352992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.352992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.352992 (E_RNA) where: Base-Base interactions energy: -1027.553 where: short stacking energy: -501.437 Base-Backbone interact. energy: -1.408 local terms energy: -667.391832 where: bonds (distance) C4'-P energy: -139.888 bonds (distance) P-C4' energy: -158.811 flat angles C4'-P-C4' energy: -162.063 flat angles P-C4'-P energy: -75.951 tors. eta vs tors. theta energy: -130.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1382.033685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.033685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.033685 (E_RNA) where: Base-Base interactions energy: -790.401 where: short stacking energy: -410.615 Base-Backbone interact. energy: -2.301 local terms energy: -589.332121 where: bonds (distance) C4'-P energy: -139.957 bonds (distance) P-C4' energy: -135.532 flat angles C4'-P-C4' energy: -153.508 flat angles P-C4'-P energy: -97.912 tors. eta vs tors. theta energy: -62.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1142.033962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.033962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.033962 (E_RNA) where: Base-Base interactions energy: -626.675 where: short stacking energy: -336.318 Base-Backbone interact. energy: -0.024 local terms energy: -515.334282 where: bonds (distance) C4'-P energy: -145.180 bonds (distance) P-C4' energy: -133.211 flat angles C4'-P-C4' energy: -129.802 flat angles P-C4'-P energy: -70.841 tors. eta vs tors. theta energy: -36.299 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: 1 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -849.790393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.790393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.790393 (E_RNA) where: Base-Base interactions energy: -375.507 where: short stacking energy: -252.110 Base-Backbone interact. energy: 0.401 local terms energy: -474.685308 where: bonds (distance) C4'-P energy: -137.114 bonds (distance) P-C4' energy: -139.708 flat angles C4'-P-C4' energy: -120.976 flat angles P-C4'-P energy: -66.452 tors. eta vs tors. theta energy: -10.435 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: 7 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -810.434118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.434118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.434118 (E_RNA) where: Base-Base interactions energy: -363.053 where: short stacking energy: -249.197 Base-Backbone interact. energy: 5.114 local terms energy: -452.494866 where: bonds (distance) C4'-P energy: -127.056 bonds (distance) P-C4' energy: -156.124 flat angles C4'-P-C4' energy: -113.981 flat angles P-C4'-P energy: -56.266 tors. eta vs tors. theta energy: 0.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -761.777968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.777968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.777968 (E_RNA) where: Base-Base interactions energy: -330.508 where: short stacking energy: -217.859 Base-Backbone interact. energy: 0.744 local terms energy: -432.014392 where: bonds (distance) C4'-P energy: -112.477 bonds (distance) P-C4' energy: -136.547 flat angles C4'-P-C4' energy: -114.869 flat angles P-C4'-P energy: -71.439 tors. eta vs tors. theta energy: 3.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2133.676933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.676933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.676933 (E_RNA) where: Base-Base interactions energy: -1363.854 where: short stacking energy: -656.748 Base-Backbone interact. energy: -2.256 local terms energy: -767.566776 where: bonds (distance) C4'-P energy: -159.151 bonds (distance) P-C4' energy: -155.739 flat angles C4'-P-C4' energy: -172.586 flat angles P-C4'-P energy: -110.450 tors. eta vs tors. theta energy: -169.641 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: 5 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1948.570133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.570133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.570133 (E_RNA) where: Base-Base interactions energy: -1211.207 where: short stacking energy: -625.294 Base-Backbone interact. energy: -3.645 local terms energy: -733.717364 where: bonds (distance) C4'-P energy: -151.445 bonds (distance) P-C4' energy: -152.697 flat angles C4'-P-C4' energy: -175.183 flat angles P-C4'-P energy: -104.175 tors. eta vs tors. theta energy: -150.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1903.362470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.362470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.362470 (E_RNA) where: Base-Base interactions energy: -1182.463 where: short stacking energy: -663.699 Base-Backbone interact. energy: -2.432 local terms energy: -718.466857 where: bonds (distance) C4'-P energy: -130.723 bonds (distance) P-C4' energy: -150.298 flat angles C4'-P-C4' energy: -173.990 flat angles P-C4'-P energy: -113.385 tors. eta vs tors. theta energy: -150.071 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: 2 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1586.449924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.449924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.449924 (E_RNA) where: Base-Base interactions energy: -899.563 where: short stacking energy: -457.674 Base-Backbone interact. energy: 0.123 local terms energy: -687.009641 where: bonds (distance) C4'-P energy: -146.443 bonds (distance) P-C4' energy: -167.456 flat angles C4'-P-C4' energy: -153.913 flat angles P-C4'-P energy: -117.119 tors. eta vs tors. theta energy: -102.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1689.936439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.936439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.936439 (E_RNA) where: Base-Base interactions energy: -1027.987 where: short stacking energy: -521.886 Base-Backbone interact. energy: 2.891 local terms energy: -664.840996 where: bonds (distance) C4'-P energy: -131.530 bonds (distance) P-C4' energy: -157.518 flat angles C4'-P-C4' energy: -155.627 flat angles P-C4'-P energy: -103.620 tors. eta vs tors. theta energy: -116.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1296.601774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.601774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.601774 (E_RNA) where: Base-Base interactions energy: -709.194 where: short stacking energy: -398.875 Base-Backbone interact. energy: 0.373 local terms energy: -587.780574 where: bonds (distance) C4'-P energy: -151.757 bonds (distance) P-C4' energy: -159.101 flat angles C4'-P-C4' energy: -137.338 flat angles P-C4'-P energy: -82.475 tors. eta vs tors. theta energy: -57.109 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: 9 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1174.825104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.825104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.825104 (E_RNA) where: Base-Base interactions energy: -625.149 where: short stacking energy: -373.857 Base-Backbone interact. energy: -2.058 local terms energy: -547.617753 where: bonds (distance) C4'-P energy: -135.407 bonds (distance) P-C4' energy: -147.023 flat angles C4'-P-C4' energy: -139.717 flat angles P-C4'-P energy: -80.947 tors. eta vs tors. theta energy: -44.524 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: 1 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -899.866567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.866567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.866567 (E_RNA) where: Base-Base interactions energy: -413.888 where: short stacking energy: -276.750 Base-Backbone interact. energy: 1.561 local terms energy: -487.539125 where: bonds (distance) C4'-P energy: -137.294 bonds (distance) P-C4' energy: -127.025 flat angles C4'-P-C4' energy: -135.001 flat angles P-C4'-P energy: -70.851 tors. eta vs tors. theta energy: -17.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -716.829069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.829069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.829069 (E_RNA) where: Base-Base interactions energy: -297.785 where: short stacking energy: -221.065 Base-Backbone interact. energy: 8.503 local terms energy: -427.546704 where: bonds (distance) C4'-P energy: -107.922 bonds (distance) P-C4' energy: -140.473 flat angles C4'-P-C4' energy: -112.490 flat angles P-C4'-P energy: -80.902 tors. eta vs tors. theta energy: 14.240 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: 8 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -747.521098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.521098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.521098 (E_RNA) where: Base-Base interactions energy: -309.695 where: short stacking energy: -209.465 Base-Backbone interact. energy: -0.194 local terms energy: -437.631547 where: bonds (distance) C4'-P energy: -108.472 bonds (distance) P-C4' energy: -165.290 flat angles C4'-P-C4' energy: -99.434 flat angles P-C4'-P energy: -69.314 tors. eta vs tors. theta energy: 4.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2191.993823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.993823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.993823 (E_RNA) where: Base-Base interactions energy: -1397.002 where: short stacking energy: -671.582 Base-Backbone interact. energy: -1.543 local terms energy: -793.449096 where: bonds (distance) C4'-P energy: -171.562 bonds (distance) P-C4' energy: -157.657 flat angles C4'-P-C4' energy: -164.268 flat angles P-C4'-P energy: -108.331 tors. eta vs tors. theta energy: -191.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1896.064557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.064557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.064557 (E_RNA) where: Base-Base interactions energy: -1152.233 where: short stacking energy: -625.611 Base-Backbone interact. energy: -4.306 local terms energy: -739.525450 where: bonds (distance) C4'-P energy: -168.286 bonds (distance) P-C4' energy: -158.069 flat angles C4'-P-C4' energy: -165.127 flat angles P-C4'-P energy: -89.102 tors. eta vs tors. theta energy: -158.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1850.281912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.281912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.281912 (E_RNA) where: Base-Base interactions energy: -1124.439 where: short stacking energy: -603.487 Base-Backbone interact. energy: -2.130 local terms energy: -723.712864 where: bonds (distance) C4'-P energy: -160.798 bonds (distance) P-C4' energy: -164.444 flat angles C4'-P-C4' energy: -154.628 flat angles P-C4'-P energy: -107.293 tors. eta vs tors. theta energy: -136.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1584.141046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.141046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.141046 (E_RNA) where: Base-Base interactions energy: -916.788 where: short stacking energy: -510.080 Base-Backbone interact. energy: -1.824 local terms energy: -665.529005 where: bonds (distance) C4'-P energy: -145.072 bonds (distance) P-C4' energy: -149.700 flat angles C4'-P-C4' energy: -163.143 flat angles P-C4'-P energy: -98.548 tors. eta vs tors. theta energy: -109.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1676.249836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.249836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.249836 (E_RNA) where: Base-Base interactions energy: -1049.049 where: short stacking energy: -516.881 Base-Backbone interact. energy: -1.410 local terms energy: -625.790834 where: bonds (distance) C4'-P energy: -135.087 bonds (distance) P-C4' energy: -137.471 flat angles C4'-P-C4' energy: -145.104 flat angles P-C4'-P energy: -92.267 tors. eta vs tors. theta energy: -115.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1338.315663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.315663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.315663 (E_RNA) where: Base-Base interactions energy: -772.654 where: short stacking energy: -422.657 Base-Backbone interact. energy: -2.240 local terms energy: -563.421560 where: bonds (distance) C4'-P energy: -134.401 bonds (distance) P-C4' energy: -152.788 flat angles C4'-P-C4' energy: -138.874 flat angles P-C4'-P energy: -64.905 tors. eta vs tors. theta energy: -72.454 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: 9 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1133.216255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.216255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.216255 (E_RNA) where: Base-Base interactions energy: -625.589 where: short stacking energy: -360.714 Base-Backbone interact. energy: -1.185 local terms energy: -506.441715 where: bonds (distance) C4'-P energy: -129.551 bonds (distance) P-C4' energy: -145.588 flat angles C4'-P-C4' energy: -116.314 flat angles P-C4'-P energy: -85.197 tors. eta vs tors. theta energy: -29.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -927.657719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.657719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.657719 (E_RNA) where: Base-Base interactions energy: -450.412 where: short stacking energy: -260.016 Base-Backbone interact. energy: 2.930 local terms energy: -480.175231 where: bonds (distance) C4'-P energy: -133.985 bonds (distance) P-C4' energy: -138.991 flat angles C4'-P-C4' energy: -144.321 flat angles P-C4'-P energy: -80.213 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: 9, replica: 8 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -781.964585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.964585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.964585 (E_RNA) where: Base-Base interactions energy: -329.140 where: short stacking energy: -228.508 Base-Backbone interact. energy: -0.819 local terms energy: -452.006368 where: bonds (distance) C4'-P energy: -126.584 bonds (distance) P-C4' energy: -149.955 flat angles C4'-P-C4' energy: -135.287 flat angles P-C4'-P energy: -51.224 tors. eta vs tors. theta energy: 11.043 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: 7 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -636.350231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.350231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.350231 (E_RNA) where: Base-Base interactions energy: -228.647 where: short stacking energy: -150.542 Base-Backbone interact. energy: 1.144 local terms energy: -408.847068 where: bonds (distance) C4'-P energy: -115.902 bonds (distance) P-C4' energy: -150.950 flat angles C4'-P-C4' energy: -113.475 flat angles P-C4'-P energy: -59.928 tors. eta vs tors. theta energy: 31.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2207.954675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.954675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.954675 (E_RNA) where: Base-Base interactions energy: -1395.547 where: short stacking energy: -683.700 Base-Backbone interact. energy: -3.121 local terms energy: -809.286380 where: bonds (distance) C4'-P energy: -173.353 bonds (distance) P-C4' energy: -165.454 flat angles C4'-P-C4' energy: -183.184 flat angles P-C4'-P energy: -107.701 tors. eta vs tors. theta energy: -179.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2017.051549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.051549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.051549 (E_RNA) where: Base-Base interactions energy: -1237.246 where: short stacking energy: -651.223 Base-Backbone interact. energy: -3.144 local terms energy: -776.661225 where: bonds (distance) C4'-P energy: -141.681 bonds (distance) P-C4' energy: -167.030 flat angles C4'-P-C4' energy: -178.007 flat angles P-C4'-P energy: -116.933 tors. eta vs tors. theta energy: -173.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1888.619791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.619791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.619791 (E_RNA) where: Base-Base interactions energy: -1124.577 where: short stacking energy: -617.794 Base-Backbone interact. energy: 0.059 local terms energy: -764.101949 where: bonds (distance) C4'-P energy: -166.872 bonds (distance) P-C4' energy: -165.676 flat angles C4'-P-C4' energy: -168.166 flat angles P-C4'-P energy: -110.755 tors. eta vs tors. theta energy: -152.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1888.738834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.738834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.738834 (E_RNA) where: Base-Base interactions energy: -1166.629 where: short stacking energy: -579.135 Base-Backbone interact. energy: 3.089 local terms energy: -725.198804 where: bonds (distance) C4'-P energy: -151.174 bonds (distance) P-C4' energy: -155.222 flat angles C4'-P-C4' energy: -161.703 flat angles P-C4'-P energy: -96.695 tors. eta vs tors. theta energy: -160.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1554.591212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.591212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.591212 (E_RNA) where: Base-Base interactions energy: -944.795 where: short stacking energy: -465.949 Base-Backbone interact. energy: -4.074 local terms energy: -605.722340 where: bonds (distance) C4'-P energy: -122.525 bonds (distance) P-C4' energy: -155.856 flat angles C4'-P-C4' energy: -141.799 flat angles P-C4'-P energy: -79.525 tors. eta vs tors. theta energy: -106.016 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: 6, replica: 10 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1419.340823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.340823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.340823 (E_RNA) where: Base-Base interactions energy: -831.454 where: short stacking energy: -444.244 Base-Backbone interact. energy: -0.024 local terms energy: -587.863224 where: bonds (distance) C4'-P energy: -128.083 bonds (distance) P-C4' energy: -135.174 flat angles C4'-P-C4' energy: -157.361 flat angles P-C4'-P energy: -87.460 tors. eta vs tors. theta energy: -79.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1140.253256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.253256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.253256 (E_RNA) where: Base-Base interactions energy: -603.783 where: short stacking energy: -341.953 Base-Backbone interact. energy: 3.813 local terms energy: -540.283439 where: bonds (distance) C4'-P energy: -131.258 bonds (distance) P-C4' energy: -151.943 flat angles C4'-P-C4' energy: -123.490 flat angles P-C4'-P energy: -93.900 tors. eta vs tors. theta energy: -39.692 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: 1 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1053.895335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.895335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.895335 (E_RNA) where: Base-Base interactions energy: -560.623 where: short stacking energy: -279.746 Base-Backbone interact. energy: 3.418 local terms energy: -496.690218 where: bonds (distance) C4'-P energy: -128.767 bonds (distance) P-C4' energy: -134.105 flat angles C4'-P-C4' energy: -124.348 flat angles P-C4'-P energy: -76.968 tors. eta vs tors. theta energy: -32.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -715.553841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.553841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.553841 (E_RNA) where: Base-Base interactions energy: -306.854 where: short stacking energy: -211.924 Base-Backbone interact. energy: 1.914 local terms energy: -410.613658 where: bonds (distance) C4'-P energy: -104.346 bonds (distance) P-C4' energy: -129.263 flat angles C4'-P-C4' energy: -117.995 flat angles P-C4'-P energy: -74.788 tors. eta vs tors. theta energy: 15.779 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: 7 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -628.497738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.497738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.497738 (E_RNA) where: Base-Base interactions energy: -234.298 where: short stacking energy: -159.627 Base-Backbone interact. energy: -3.792 local terms energy: -390.408622 where: bonds (distance) C4'-P energy: -130.278 bonds (distance) P-C4' energy: -122.463 flat angles C4'-P-C4' energy: -98.328 flat angles P-C4'-P energy: -64.092 tors. eta vs tors. theta energy: 24.752 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: 32 Temperature: 0.900000 Total energy: -2215.082459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.082459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.082459 (E_RNA) where: Base-Base interactions energy: -1419.525 where: short stacking energy: -689.472 Base-Backbone interact. energy: -0.137 local terms energy: -795.420278 where: bonds (distance) C4'-P energy: -160.482 bonds (distance) P-C4' energy: -168.378 flat angles C4'-P-C4' energy: -173.998 flat angles P-C4'-P energy: -102.927 tors. eta vs tors. theta energy: -189.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1999.214143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.214143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.214143 (E_RNA) where: Base-Base interactions energy: -1226.977 where: short stacking energy: -623.438 Base-Backbone interact. energy: -1.622 local terms energy: -770.615643 where: bonds (distance) C4'-P energy: -164.168 bonds (distance) P-C4' energy: -168.621 flat angles C4'-P-C4' energy: -167.277 flat angles P-C4'-P energy: -107.796 tors. eta vs tors. theta energy: -162.755 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: 3 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1973.703895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.703895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.703895 (E_RNA) where: Base-Base interactions energy: -1266.657 where: short stacking energy: -604.755 Base-Backbone interact. energy: -4.477 local terms energy: -702.569977 where: bonds (distance) C4'-P energy: -143.203 bonds (distance) P-C4' energy: -161.198 flat angles C4'-P-C4' energy: -163.223 flat angles P-C4'-P energy: -85.817 tors. eta vs tors. theta energy: -149.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1753.706267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.706267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.706267 (E_RNA) where: Base-Base interactions energy: -1035.741 where: short stacking energy: -562.981 Base-Backbone interact. energy: -0.736 local terms energy: -717.228667 where: bonds (distance) C4'-P energy: -148.151 bonds (distance) P-C4' energy: -173.891 flat angles C4'-P-C4' energy: -167.391 flat angles P-C4'-P energy: -96.577 tors. eta vs tors. theta energy: -131.218 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: 5, replica: 2 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1583.062862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.062862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.062862 (E_RNA) where: Base-Base interactions energy: -968.356 where: short stacking energy: -487.546 Base-Backbone interact. energy: -0.884 local terms energy: -613.822843 where: bonds (distance) C4'-P energy: -135.786 bonds (distance) P-C4' energy: -146.863 flat angles C4'-P-C4' energy: -155.933 flat angles P-C4'-P energy: -89.444 tors. eta vs tors. theta energy: -85.796 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: 10 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1377.081924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.081924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.081924 (E_RNA) where: Base-Base interactions energy: -762.003 where: short stacking energy: -420.088 Base-Backbone interact. energy: -4.260 local terms energy: -610.819000 where: bonds (distance) C4'-P energy: -139.811 bonds (distance) P-C4' energy: -153.808 flat angles C4'-P-C4' energy: -142.824 flat angles P-C4'-P energy: -96.734 tors. eta vs tors. theta energy: -77.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1137.707478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.707478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.707478 (E_RNA) where: Base-Base interactions energy: -611.456 where: short stacking energy: -343.574 Base-Backbone interact. energy: -1.021 local terms energy: -525.230335 where: bonds (distance) C4'-P energy: -127.723 bonds (distance) P-C4' energy: -147.297 flat angles C4'-P-C4' energy: -136.144 flat angles P-C4'-P energy: -76.790 tors. eta vs tors. theta energy: -37.276 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: 8, replica: 1 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1013.892996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.892996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.892996 (E_RNA) where: Base-Base interactions energy: -539.636 where: short stacking energy: -299.353 Base-Backbone interact. energy: 1.751 local terms energy: -476.008520 where: bonds (distance) C4'-P energy: -119.305 bonds (distance) P-C4' energy: -139.768 flat angles C4'-P-C4' energy: -118.631 flat angles P-C4'-P energy: -82.497 tors. eta vs tors. theta energy: -15.806 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: 8 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -808.075331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.075331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.075331 (E_RNA) where: Base-Base interactions energy: -353.403 where: short stacking energy: -261.507 Base-Backbone interact. energy: 0.511 local terms energy: -455.183802 where: bonds (distance) C4'-P energy: -127.190 bonds (distance) P-C4' energy: -149.833 flat angles C4'-P-C4' energy: -108.863 flat angles P-C4'-P energy: -52.776 tors. eta vs tors. theta energy: -16.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -682.390753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.390753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.390753 (E_RNA) where: Base-Base interactions energy: -307.808 where: short stacking energy: -192.615 Base-Backbone interact. energy: 3.860 local terms energy: -378.442689 where: bonds (distance) C4'-P energy: -105.783 bonds (distance) P-C4' energy: -135.864 flat angles C4'-P-C4' energy: -104.090 flat angles P-C4'-P energy: -59.370 tors. eta vs tors. theta energy: 26.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2231.924414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.924414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.924414 (E_RNA) where: Base-Base interactions energy: -1443.811 where: short stacking energy: -694.519 Base-Backbone interact. energy: -3.320 local terms energy: -784.793375 where: bonds (distance) C4'-P energy: -153.789 bonds (distance) P-C4' energy: -155.125 flat angles C4'-P-C4' energy: -179.853 flat angles P-C4'-P energy: -109.877 tors. eta vs tors. theta energy: -186.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2000.200404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.200404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.200404 (E_RNA) where: Base-Base interactions energy: -1243.098 where: short stacking energy: -617.402 Base-Backbone interact. energy: -1.695 local terms energy: -755.408050 where: bonds (distance) C4'-P energy: -156.953 bonds (distance) P-C4' energy: -173.089 flat angles C4'-P-C4' energy: -157.966 flat angles P-C4'-P energy: -114.644 tors. eta vs tors. theta energy: -152.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -2109.905876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.905876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.905876 (E_RNA) where: Base-Base interactions energy: -1356.233 where: short stacking energy: -678.524 Base-Backbone interact. energy: 6.088 local terms energy: -759.760921 where: bonds (distance) C4'-P energy: -165.285 bonds (distance) P-C4' energy: -146.916 flat angles C4'-P-C4' energy: -180.940 flat angles P-C4'-P energy: -93.537 tors. eta vs tors. theta energy: -173.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1686.496489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.496489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.496489 (E_RNA) where: Base-Base interactions energy: -1033.070 where: short stacking energy: -555.093 Base-Backbone interact. energy: -2.790 local terms energy: -650.636078 where: bonds (distance) C4'-P energy: -125.873 bonds (distance) P-C4' energy: -152.218 flat angles C4'-P-C4' energy: -149.793 flat angles P-C4'-P energy: -86.740 tors. eta vs tors. theta energy: -136.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1495.017834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.017834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.017834 (E_RNA) where: Base-Base interactions energy: -863.730 where: short stacking energy: -467.775 Base-Backbone interact. energy: -3.005 local terms energy: -628.282344 where: bonds (distance) C4'-P energy: -137.298 bonds (distance) P-C4' energy: -136.316 flat angles C4'-P-C4' energy: -147.258 flat angles P-C4'-P energy: -98.729 tors. eta vs tors. theta energy: -108.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1380.153343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.153343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.153343 (E_RNA) where: Base-Base interactions energy: -763.051 where: short stacking energy: -389.914 Base-Backbone interact. energy: -1.836 local terms energy: -615.266373 where: bonds (distance) C4'-P energy: -156.476 bonds (distance) P-C4' energy: -152.960 flat angles C4'-P-C4' energy: -147.618 flat angles P-C4'-P energy: -101.807 tors. eta vs tors. theta energy: -56.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1181.331105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.331105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.331105 (E_RNA) where: Base-Base interactions energy: -630.268 where: short stacking energy: -359.186 Base-Backbone interact. energy: -1.503 local terms energy: -549.559905 where: bonds (distance) C4'-P energy: -139.861 bonds (distance) P-C4' energy: -142.247 flat angles C4'-P-C4' energy: -142.540 flat angles P-C4'-P energy: -73.908 tors. eta vs tors. theta energy: -51.004 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: 1 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -972.353244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.353244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.353244 (E_RNA) where: Base-Base interactions energy: -464.576 where: short stacking energy: -247.787 Base-Backbone interact. energy: 1.372 local terms energy: -509.149919 where: bonds (distance) C4'-P energy: -141.119 bonds (distance) P-C4' energy: -151.792 flat angles C4'-P-C4' energy: -141.812 flat angles P-C4'-P energy: -74.040 tors. eta vs tors. theta energy: -0.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -715.083487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.083487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.083487 (E_RNA) where: Base-Base interactions energy: -299.368 where: short stacking energy: -196.465 Base-Backbone interact. energy: -3.196 local terms energy: -412.519853 where: bonds (distance) C4'-P energy: -131.323 bonds (distance) P-C4' energy: -126.870 flat angles C4'-P-C4' energy: -117.746 flat angles P-C4'-P energy: -62.837 tors. eta vs tors. theta energy: 26.257 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: 10, replica: 7 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -679.208343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.208343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.208343 (E_RNA) where: Base-Base interactions energy: -291.245 where: short stacking energy: -210.982 Base-Backbone interact. energy: 1.277 local terms energy: -389.240506 where: bonds (distance) C4'-P energy: -109.823 bonds (distance) P-C4' energy: -137.642 flat angles C4'-P-C4' energy: -103.806 flat angles P-C4'-P energy: -67.682 tors. eta vs tors. theta energy: 29.712 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: 34 Temperature: 0.900000 Total energy: -2283.490402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.490402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.490402 (E_RNA) where: Base-Base interactions energy: -1485.867 where: short stacking energy: -712.511 Base-Backbone interact. energy: -2.485 local terms energy: -795.138941 where: bonds (distance) C4'-P energy: -166.473 bonds (distance) P-C4' energy: -159.938 flat angles C4'-P-C4' energy: -185.578 flat angles P-C4'-P energy: -106.977 tors. eta vs tors. theta energy: -176.173 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: 2, replica: 4 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2014.985052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.985052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.985052 (E_RNA) where: Base-Base interactions energy: -1258.094 where: short stacking energy: -645.315 Base-Backbone interact. energy: -0.186 local terms energy: -756.705413 where: bonds (distance) C4'-P energy: -150.481 bonds (distance) P-C4' energy: -167.319 flat angles C4'-P-C4' energy: -161.125 flat angles P-C4'-P energy: -118.658 tors. eta vs tors. theta energy: -159.123 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: 3 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -2090.735728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.735728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.735728 (E_RNA) where: Base-Base interactions energy: -1356.631 where: short stacking energy: -640.992 Base-Backbone interact. energy: 2.167 local terms energy: -736.271516 where: bonds (distance) C4'-P energy: -165.260 bonds (distance) P-C4' energy: -149.930 flat angles C4'-P-C4' energy: -155.593 flat angles P-C4'-P energy: -88.914 tors. eta vs tors. theta energy: -176.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1665.439843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.439843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.439843 (E_RNA) where: Base-Base interactions energy: -977.500 where: short stacking energy: -477.609 Base-Backbone interact. energy: -1.061 local terms energy: -686.878107 where: bonds (distance) C4'-P energy: -155.293 bonds (distance) P-C4' energy: -165.281 flat angles C4'-P-C4' energy: -152.266 flat angles P-C4'-P energy: -97.528 tors. eta vs tors. theta energy: -116.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1375.080699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.080699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.080699 (E_RNA) where: Base-Base interactions energy: -785.881 where: short stacking energy: -424.538 Base-Backbone interact. energy: 1.041 local terms energy: -590.239914 where: bonds (distance) C4'-P energy: -155.424 bonds (distance) P-C4' energy: -141.989 flat angles C4'-P-C4' energy: -149.057 flat angles P-C4'-P energy: -78.486 tors. eta vs tors. theta energy: -65.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1401.964154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.964154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.964154 (E_RNA) where: Base-Base interactions energy: -799.908 where: short stacking energy: -436.441 Base-Backbone interact. energy: -3.272 local terms energy: -598.783331 where: bonds (distance) C4'-P energy: -154.805 bonds (distance) P-C4' energy: -147.933 flat angles C4'-P-C4' energy: -148.258 flat angles P-C4'-P energy: -71.351 tors. eta vs tors. theta energy: -76.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1157.010491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.010491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.010491 (E_RNA) where: Base-Base interactions energy: -587.965 where: short stacking energy: -328.644 Base-Backbone interact. energy: -3.373 local terms energy: -565.673215 where: bonds (distance) C4'-P energy: -141.767 bonds (distance) P-C4' energy: -173.013 flat angles C4'-P-C4' energy: -133.136 flat angles P-C4'-P energy: -77.265 tors. eta vs tors. theta energy: -40.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -940.651890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.651890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.651890 (E_RNA) where: Base-Base interactions energy: -440.949 where: short stacking energy: -265.491 Base-Backbone interact. energy: 2.541 local terms energy: -502.243919 where: bonds (distance) C4'-P energy: -135.952 bonds (distance) P-C4' energy: -160.821 flat angles C4'-P-C4' energy: -111.824 flat angles P-C4'-P energy: -75.169 tors. eta vs tors. theta energy: -18.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -828.355786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.355786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.355786 (E_RNA) where: Base-Base interactions energy: -389.138 where: short stacking energy: -249.416 Base-Backbone interact. energy: 0.881 local terms energy: -440.098576 where: bonds (distance) C4'-P energy: -131.900 bonds (distance) P-C4' energy: -144.915 flat angles C4'-P-C4' energy: -105.139 flat angles P-C4'-P energy: -68.101 tors. eta vs tors. theta energy: 9.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -737.134118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.134118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.134118 (E_RNA) where: Base-Base interactions energy: -329.796 where: short stacking energy: -208.205 Base-Backbone interact. energy: 5.694 local terms energy: -413.032232 where: bonds (distance) C4'-P energy: -100.159 bonds (distance) P-C4' energy: -131.043 flat angles C4'-P-C4' energy: -115.872 flat angles P-C4'-P energy: -82.142 tors. eta vs tors. theta energy: 16.184 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: 6 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2263.869067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.869067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.869067 (E_RNA) where: Base-Base interactions energy: -1452.420 where: short stacking energy: -701.447 Base-Backbone interact. energy: -3.386 local terms energy: -808.062949 where: bonds (distance) C4'-P energy: -165.113 bonds (distance) P-C4' energy: -160.508 flat angles C4'-P-C4' energy: -178.365 flat angles P-C4'-P energy: -116.742 tors. eta vs tors. theta energy: -187.335 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: 3 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2242.961248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.961248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.961248 (E_RNA) where: Base-Base interactions energy: -1430.619 where: short stacking energy: -707.655 Base-Backbone interact. energy: -1.871 local terms energy: -810.471503 where: bonds (distance) C4'-P energy: -163.130 bonds (distance) P-C4' energy: -159.841 flat angles C4'-P-C4' energy: -169.497 flat angles P-C4'-P energy: -122.995 tors. eta vs tors. theta energy: -195.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1945.373321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.373321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.373321 (E_RNA) where: Base-Base interactions energy: -1206.151 where: short stacking energy: -616.116 Base-Backbone interact. energy: -1.273 local terms energy: -737.949411 where: bonds (distance) C4'-P energy: -156.386 bonds (distance) P-C4' energy: -160.830 flat angles C4'-P-C4' energy: -169.944 flat angles P-C4'-P energy: -97.974 tors. eta vs tors. theta energy: -152.815 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: 4, replica: 2 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1664.729567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.729567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.729567 (E_RNA) where: Base-Base interactions energy: -984.731 where: short stacking energy: -487.165 Base-Backbone interact. energy: -2.809 local terms energy: -677.190118 where: bonds (distance) C4'-P energy: -159.032 bonds (distance) P-C4' energy: -170.351 flat angles C4'-P-C4' energy: -140.425 flat angles P-C4'-P energy: -115.474 tors. eta vs tors. theta energy: -91.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1376.494930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.494930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.494930 (E_RNA) where: Base-Base interactions energy: -780.189 where: short stacking energy: -411.193 Base-Backbone interact. energy: -2.107 local terms energy: -594.198186 where: bonds (distance) C4'-P energy: -136.642 bonds (distance) P-C4' energy: -144.911 flat angles C4'-P-C4' energy: -134.562 flat angles P-C4'-P energy: -97.644 tors. eta vs tors. theta energy: -80.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1353.679917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.679917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.679917 (E_RNA) where: Base-Base interactions energy: -775.627 where: short stacking energy: -416.537 Base-Backbone interact. energy: 2.959 local terms energy: -581.011247 where: bonds (distance) C4'-P energy: -131.051 bonds (distance) P-C4' energy: -137.857 flat angles C4'-P-C4' energy: -142.737 flat angles P-C4'-P energy: -103.178 tors. eta vs tors. theta energy: -66.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1182.110966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.110966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.110966 (E_RNA) where: Base-Base interactions energy: -675.503 where: short stacking energy: -340.008 Base-Backbone interact. energy: 3.915 local terms energy: -510.522355 where: bonds (distance) C4'-P energy: -126.928 bonds (distance) P-C4' energy: -107.852 flat angles C4'-P-C4' energy: -136.155 flat angles P-C4'-P energy: -89.216 tors. eta vs tors. theta energy: -50.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -912.203850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.203850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.203850 (E_RNA) where: Base-Base interactions energy: -481.348 where: short stacking energy: -283.270 Base-Backbone interact. energy: -1.534 local terms energy: -429.321127 where: bonds (distance) C4'-P energy: -121.434 bonds (distance) P-C4' energy: -137.452 flat angles C4'-P-C4' energy: -121.476 flat angles P-C4'-P energy: -58.363 tors. eta vs tors. theta energy: 9.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -814.032114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.032114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.032114 (E_RNA) where: Base-Base interactions energy: -365.611 where: short stacking energy: -242.528 Base-Backbone interact. energy: 2.541 local terms energy: -450.961917 where: bonds (distance) C4'-P energy: -102.720 bonds (distance) P-C4' energy: -136.087 flat angles C4'-P-C4' energy: -131.220 flat angles P-C4'-P energy: -78.510 tors. eta vs tors. theta energy: -2.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -638.454192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.454192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.454192 (E_RNA) where: Base-Base interactions energy: -251.164 where: short stacking energy: -153.246 Base-Backbone interact. energy: 2.473 local terms energy: -389.762589 where: bonds (distance) C4'-P energy: -118.274 bonds (distance) P-C4' energy: -142.309 flat angles C4'-P-C4' energy: -93.755 flat angles P-C4'-P energy: -47.302 tors. eta vs tors. theta energy: 11.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2310.247838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.247838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.247838 (E_RNA) where: Base-Base interactions energy: -1483.534 where: short stacking energy: -732.480 Base-Backbone interact. energy: -3.686 local terms energy: -823.027672 where: bonds (distance) C4'-P energy: -166.120 bonds (distance) P-C4' energy: -157.295 flat angles C4'-P-C4' energy: -178.342 flat angles P-C4'-P energy: -111.100 tors. eta vs tors. theta energy: -210.170 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: 36 Temperature: 0.950000 Total energy: -2135.830855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.830855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.830855 (E_RNA) where: Base-Base interactions energy: -1391.266 where: short stacking energy: -629.211 Base-Backbone interact. energy: 0.206 local terms energy: -744.771040 where: bonds (distance) C4'-P energy: -162.393 bonds (distance) P-C4' energy: -160.030 flat angles C4'-P-C4' energy: -157.260 flat angles P-C4'-P energy: -108.758 tors. eta vs tors. theta energy: -156.330 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: 4 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1966.278613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.278613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.278613 (E_RNA) where: Base-Base interactions energy: -1223.629 where: short stacking energy: -606.445 Base-Backbone interact. energy: -1.500 local terms energy: -741.149154 where: bonds (distance) C4'-P energy: -156.155 bonds (distance) P-C4' energy: -148.827 flat angles C4'-P-C4' energy: -185.879 flat angles P-C4'-P energy: -101.522 tors. eta vs tors. theta energy: -148.766 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: 4, replica: 2 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1690.544927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.544927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.544927 (E_RNA) where: Base-Base interactions energy: -1010.860 where: short stacking energy: -501.801 Base-Backbone interact. energy: -6.202 local terms energy: -673.482058 where: bonds (distance) C4'-P energy: -152.073 bonds (distance) P-C4' energy: -156.370 flat angles C4'-P-C4' energy: -161.623 flat angles P-C4'-P energy: -94.467 tors. eta vs tors. theta energy: -108.949 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: 36 Temperature: 1.100000 Total energy: -1425.949699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.949699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.949699 (E_RNA) where: Base-Base interactions energy: -833.166 where: short stacking energy: -455.222 Base-Backbone interact. energy: -3.824 local terms energy: -588.959612 where: bonds (distance) C4'-P energy: -129.552 bonds (distance) P-C4' energy: -122.867 flat angles C4'-P-C4' energy: -143.976 flat angles P-C4'-P energy: -115.331 tors. eta vs tors. theta energy: -77.234 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: 10 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1297.594151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.594151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.594151 (E_RNA) where: Base-Base interactions energy: -736.759 where: short stacking energy: -428.424 Base-Backbone interact. energy: -1.415 local terms energy: -559.419673 where: bonds (distance) C4'-P energy: -129.118 bonds (distance) P-C4' energy: -142.526 flat angles C4'-P-C4' energy: -154.763 flat angles P-C4'-P energy: -77.114 tors. eta vs tors. theta energy: -55.900 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: 9 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1235.396289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.396289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.396289 (E_RNA) where: Base-Base interactions energy: -700.362 where: short stacking energy: -375.691 Base-Backbone interact. energy: -1.402 local terms energy: -533.632584 where: bonds (distance) C4'-P energy: -136.543 bonds (distance) P-C4' energy: -148.920 flat angles C4'-P-C4' energy: -143.649 flat angles P-C4'-P energy: -61.250 tors. eta vs tors. theta energy: -43.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -946.927104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.927104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.927104 (E_RNA) where: Base-Base interactions energy: -460.480 where: short stacking energy: -289.037 Base-Backbone interact. energy: -0.559 local terms energy: -485.888017 where: bonds (distance) C4'-P energy: -136.625 bonds (distance) P-C4' energy: -152.663 flat angles C4'-P-C4' energy: -115.313 flat angles P-C4'-P energy: -77.175 tors. eta vs tors. theta energy: -4.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -747.189143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.189143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.189143 (E_RNA) where: Base-Base interactions energy: -325.118 where: short stacking energy: -223.928 Base-Backbone interact. energy: -1.181 local terms energy: -420.890496 where: bonds (distance) C4'-P energy: -111.071 bonds (distance) P-C4' energy: -134.118 flat angles C4'-P-C4' energy: -113.118 flat angles P-C4'-P energy: -66.236 tors. eta vs tors. theta energy: 3.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -647.810511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.810511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.810511 (E_RNA) where: Base-Base interactions energy: -253.546 where: short stacking energy: -196.573 Base-Backbone interact. energy: 0.502 local terms energy: -394.766513 where: bonds (distance) C4'-P energy: -111.821 bonds (distance) P-C4' energy: -136.049 flat angles C4'-P-C4' energy: -72.271 flat angles P-C4'-P energy: -75.645 tors. eta vs tors. theta energy: 1.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2324.926708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.926708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.926708 (E_RNA) where: Base-Base interactions energy: -1483.319 where: short stacking energy: -728.807 Base-Backbone interact. energy: -3.148 local terms energy: -838.458957 where: bonds (distance) C4'-P energy: -168.406 bonds (distance) P-C4' energy: -153.132 flat angles C4'-P-C4' energy: -171.454 flat angles P-C4'-P energy: -129.957 tors. eta vs tors. theta energy: -215.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2206.593398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.593398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.593398 (E_RNA) where: Base-Base interactions energy: -1465.808 where: short stacking energy: -671.671 Base-Backbone interact. energy: -1.606 local terms energy: -739.180014 where: bonds (distance) C4'-P energy: -151.397 bonds (distance) P-C4' energy: -156.494 flat angles C4'-P-C4' energy: -162.369 flat angles P-C4'-P energy: -105.211 tors. eta vs tors. theta energy: -163.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1958.595075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.595075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.595075 (E_RNA) where: Base-Base interactions energy: -1201.090 where: short stacking energy: -574.625 Base-Backbone interact. energy: 1.588 local terms energy: -759.093066 where: bonds (distance) C4'-P energy: -159.078 bonds (distance) P-C4' energy: -181.433 flat angles C4'-P-C4' energy: -165.993 flat angles P-C4'-P energy: -110.532 tors. eta vs tors. theta energy: -142.057 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: 37 Temperature: 1.050000 Total energy: -1732.624462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.624462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.624462 (E_RNA) where: Base-Base interactions energy: -1029.252 where: short stacking energy: -524.791 Base-Backbone interact. energy: 4.432 local terms energy: -707.804330 where: bonds (distance) C4'-P energy: -150.971 bonds (distance) P-C4' energy: -145.531 flat angles C4'-P-C4' energy: -176.724 flat angles P-C4'-P energy: -119.141 tors. eta vs tors. theta energy: -115.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1457.512495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.512495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.512495 (E_RNA) where: Base-Base interactions energy: -843.657 where: short stacking energy: -451.014 Base-Backbone interact. energy: -0.054 local terms energy: -613.801633 where: bonds (distance) C4'-P energy: -140.666 bonds (distance) P-C4' energy: -160.027 flat angles C4'-P-C4' energy: -146.011 flat angles P-C4'-P energy: -87.886 tors. eta vs tors. theta energy: -79.211 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: 10 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1298.612053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.612053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.612053 (E_RNA) where: Base-Base interactions energy: -734.987 where: short stacking energy: -380.695 Base-Backbone interact. energy: -3.007 local terms energy: -560.618386 where: bonds (distance) C4'-P energy: -131.835 bonds (distance) P-C4' energy: -141.324 flat angles C4'-P-C4' energy: -151.764 flat angles P-C4'-P energy: -82.015 tors. eta vs tors. theta energy: -53.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1262.279498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.279498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.279498 (E_RNA) where: Base-Base interactions energy: -739.763 where: short stacking energy: -390.296 Base-Backbone interact. energy: -0.279 local terms energy: -522.237902 where: bonds (distance) C4'-P energy: -125.049 bonds (distance) P-C4' energy: -138.354 flat angles C4'-P-C4' energy: -133.066 flat angles P-C4'-P energy: -73.558 tors. eta vs tors. theta energy: -52.212 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: 37 Temperature: 1.250000 Total energy: -1012.358103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.358103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.358103 (E_RNA) where: Base-Base interactions energy: -510.624 where: short stacking energy: -279.829 Base-Backbone interact. energy: -1.375 local terms energy: -500.358947 where: bonds (distance) C4'-P energy: -135.755 bonds (distance) P-C4' energy: -142.443 flat angles C4'-P-C4' energy: -116.261 flat angles P-C4'-P energy: -82.607 tors. eta vs tors. theta energy: -23.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -760.874068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.874068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.874068 (E_RNA) where: Base-Base interactions energy: -317.249 where: short stacking energy: -225.293 Base-Backbone interact. energy: -2.029 local terms energy: -441.595801 where: bonds (distance) C4'-P energy: -144.805 bonds (distance) P-C4' energy: -130.507 flat angles C4'-P-C4' energy: -115.094 flat angles P-C4'-P energy: -61.961 tors. eta vs tors. theta energy: 10.771 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: 10, replica: 7 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -696.270134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.270134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.270134 (E_RNA) where: Base-Base interactions energy: -286.046 where: short stacking energy: -216.514 Base-Backbone interact. energy: 6.348 local terms energy: -416.571747 where: bonds (distance) C4'-P energy: -132.723 bonds (distance) P-C4' energy: -122.026 flat angles C4'-P-C4' energy: -114.382 flat angles P-C4'-P energy: -57.520 tors. eta vs tors. theta energy: 10.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2286.855868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.855868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.855868 (E_RNA) where: Base-Base interactions energy: -1468.676 where: short stacking energy: -728.711 Base-Backbone interact. energy: -0.013 local terms energy: -818.167145 where: bonds (distance) C4'-P energy: -160.151 bonds (distance) P-C4' energy: -172.208 flat angles C4'-P-C4' energy: -186.910 flat angles P-C4'-P energy: -107.697 tors. eta vs tors. theta energy: -191.201 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: 6 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2202.028316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.028316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.028316 (E_RNA) where: Base-Base interactions energy: -1428.758 where: short stacking energy: -666.867 Base-Backbone interact. energy: -4.326 local terms energy: -768.944982 where: bonds (distance) C4'-P energy: -159.145 bonds (distance) P-C4' energy: -158.607 flat angles C4'-P-C4' energy: -165.848 flat angles P-C4'-P energy: -114.096 tors. eta vs tors. theta energy: -171.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1997.598322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.598322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.598322 (E_RNA) where: Base-Base interactions energy: -1241.968 where: short stacking energy: -599.750 Base-Backbone interact. energy: -2.835 local terms energy: -752.795254 where: bonds (distance) C4'-P energy: -145.936 bonds (distance) P-C4' energy: -163.348 flat angles C4'-P-C4' energy: -182.395 flat angles P-C4'-P energy: -108.234 tors. eta vs tors. theta energy: -152.881 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: 38 Temperature: 1.050000 Total energy: -1697.865828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.865828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.865828 (E_RNA) where: Base-Base interactions energy: -1039.272 where: short stacking energy: -524.612 Base-Backbone interact. energy: -1.518 local terms energy: -657.076356 where: bonds (distance) C4'-P energy: -123.621 bonds (distance) P-C4' energy: -154.842 flat angles C4'-P-C4' energy: -147.536 flat angles P-C4'-P energy: -91.125 tors. eta vs tors. theta energy: -139.951 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: 5, replica: 5 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1473.967560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.967560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.967560 (E_RNA) where: Base-Base interactions energy: -882.685 where: short stacking energy: -431.324 Base-Backbone interact. energy: -0.876 local terms energy: -590.407458 where: bonds (distance) C4'-P energy: -137.966 bonds (distance) P-C4' energy: -151.692 flat angles C4'-P-C4' energy: -137.064 flat angles P-C4'-P energy: -102.139 tors. eta vs tors. theta energy: -61.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1344.488081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.488081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.488081 (E_RNA) where: Base-Base interactions energy: -755.974 where: short stacking energy: -366.626 Base-Backbone interact. energy: 1.447 local terms energy: -589.960853 where: bonds (distance) C4'-P energy: -152.434 bonds (distance) P-C4' energy: -151.702 flat angles C4'-P-C4' energy: -162.039 flat angles P-C4'-P energy: -81.239 tors. eta vs tors. theta energy: -42.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1250.759691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.759691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.759691 (E_RNA) where: Base-Base interactions energy: -686.497 where: short stacking energy: -338.399 Base-Backbone interact. energy: -1.373 local terms energy: -562.889719 where: bonds (distance) C4'-P energy: -143.186 bonds (distance) P-C4' energy: -151.798 flat angles C4'-P-C4' energy: -141.198 flat angles P-C4'-P energy: -85.423 tors. eta vs tors. theta energy: -41.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -973.154249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.154249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.154249 (E_RNA) where: Base-Base interactions energy: -517.059 where: short stacking energy: -287.008 Base-Backbone interact. energy: 3.364 local terms energy: -459.459346 where: bonds (distance) C4'-P energy: -139.908 bonds (distance) P-C4' energy: -129.308 flat angles C4'-P-C4' energy: -91.131 flat angles P-C4'-P energy: -83.936 tors. eta vs tors. theta energy: -15.176 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: 8 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -759.825788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.825788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.825788 (E_RNA) where: Base-Base interactions energy: -315.578 where: short stacking energy: -207.525 Base-Backbone interact. energy: -1.511 local terms energy: -442.737176 where: bonds (distance) C4'-P energy: -119.303 bonds (distance) P-C4' energy: -153.194 flat angles C4'-P-C4' energy: -123.726 flat angles P-C4'-P energy: -76.361 tors. eta vs tors. theta energy: 29.846 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: 7 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -655.757612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.757612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.757612 (E_RNA) where: Base-Base interactions energy: -279.685 where: short stacking energy: -172.114 Base-Backbone interact. energy: 17.344 local terms energy: -393.416806 where: bonds (distance) C4'-P energy: -117.081 bonds (distance) P-C4' energy: -139.150 flat angles C4'-P-C4' energy: -111.049 flat angles P-C4'-P energy: -56.291 tors. eta vs tors. theta energy: 30.153 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: 3 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2337.880097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.880097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.880097 (E_RNA) where: Base-Base interactions energy: -1507.046 where: short stacking energy: -732.684 Base-Backbone interact. energy: -1.023 local terms energy: -829.811333 where: bonds (distance) C4'-P energy: -145.845 bonds (distance) P-C4' energy: -171.868 flat angles C4'-P-C4' energy: -185.509 flat angles P-C4'-P energy: -119.939 tors. eta vs tors. theta energy: -206.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2182.527895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.527895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.527895 (E_RNA) where: Base-Base interactions energy: -1435.156 where: short stacking energy: -645.754 Base-Backbone interact. energy: -4.748 local terms energy: -742.624020 where: bonds (distance) C4'-P energy: -145.157 bonds (distance) P-C4' energy: -166.931 flat angles C4'-P-C4' energy: -148.914 flat angles P-C4'-P energy: -97.543 tors. eta vs tors. theta energy: -184.079 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: 3, replica: 4 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1948.643702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.643702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.643702 (E_RNA) where: Base-Base interactions energy: -1237.186 where: short stacking energy: -611.014 Base-Backbone interact. energy: -1.220 local terms energy: -710.237346 where: bonds (distance) C4'-P energy: -151.926 bonds (distance) P-C4' energy: -145.720 flat angles C4'-P-C4' energy: -152.009 flat angles P-C4'-P energy: -106.907 tors. eta vs tors. theta energy: -153.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1670.685946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.685946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.685946 (E_RNA) where: Base-Base interactions energy: -986.894 where: short stacking energy: -529.699 Base-Backbone interact. energy: -2.335 local terms energy: -681.456737 where: bonds (distance) C4'-P energy: -138.839 bonds (distance) P-C4' energy: -163.628 flat angles C4'-P-C4' energy: -150.646 flat angles P-C4'-P energy: -119.021 tors. eta vs tors. theta energy: -109.323 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: 5 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1524.363788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.363788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.363788 (E_RNA) where: Base-Base interactions energy: -924.650 where: short stacking energy: -474.981 Base-Backbone interact. energy: 1.860 local terms energy: -601.574620 where: bonds (distance) C4'-P energy: -139.032 bonds (distance) P-C4' energy: -149.435 flat angles C4'-P-C4' energy: -146.539 flat angles P-C4'-P energy: -90.962 tors. eta vs tors. theta energy: -75.606 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: 10 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1381.073928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.073928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.073928 (E_RNA) where: Base-Base interactions energy: -784.817 where: short stacking energy: -396.027 Base-Backbone interact. energy: -4.133 local terms energy: -592.123873 where: bonds (distance) C4'-P energy: -148.770 bonds (distance) P-C4' energy: -145.956 flat angles C4'-P-C4' energy: -154.564 flat angles P-C4'-P energy: -89.017 tors. eta vs tors. theta energy: -53.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1211.758585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.758585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.758585 (E_RNA) where: Base-Base interactions energy: -702.840 where: short stacking energy: -358.494 Base-Backbone interact. energy: -0.012 local terms energy: -508.906136 where: bonds (distance) C4'-P energy: -134.057 bonds (distance) P-C4' energy: -123.033 flat angles C4'-P-C4' energy: -138.516 flat angles P-C4'-P energy: -63.740 tors. eta vs tors. theta energy: -49.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -995.059960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.059960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.059960 (E_RNA) where: Base-Base interactions energy: -487.765 where: short stacking energy: -293.713 Base-Backbone interact. energy: 0.761 local terms energy: -508.056432 where: bonds (distance) C4'-P energy: -128.264 bonds (distance) P-C4' energy: -136.774 flat angles C4'-P-C4' energy: -120.010 flat angles P-C4'-P energy: -89.665 tors. eta vs tors. theta energy: -33.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -760.910952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.910952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.910952 (E_RNA) where: Base-Base interactions energy: -373.022 where: short stacking energy: -236.863 Base-Backbone interact. energy: 9.291 local terms energy: -397.180049 where: bonds (distance) C4'-P energy: -117.236 bonds (distance) P-C4' energy: -117.709 flat angles C4'-P-C4' energy: -110.705 flat angles P-C4'-P energy: -75.450 tors. eta vs tors. theta energy: 23.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -636.210507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.210507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.210507 (E_RNA) where: Base-Base interactions energy: -240.547 where: short stacking energy: -158.162 Base-Backbone interact. energy: 2.449 local terms energy: -398.112261 where: bonds (distance) C4'-P energy: -140.585 bonds (distance) P-C4' energy: -136.466 flat angles C4'-P-C4' energy: -98.416 flat angles P-C4'-P energy: -56.309 tors. eta vs tors. theta energy: 33.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2322.114497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.114497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.114497 (E_RNA) where: Base-Base interactions energy: -1500.045 where: short stacking energy: -733.610 Base-Backbone interact. energy: -3.338 local terms energy: -818.731668 where: bonds (distance) C4'-P energy: -158.013 bonds (distance) P-C4' energy: -151.449 flat angles C4'-P-C4' energy: -186.578 flat angles P-C4'-P energy: -120.889 tors. eta vs tors. theta energy: -201.803 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: 6 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2191.446160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.446160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.446160 (E_RNA) where: Base-Base interactions energy: -1411.345 where: short stacking energy: -643.691 Base-Backbone interact. energy: -4.611 local terms energy: -775.490535 where: bonds (distance) C4'-P energy: -159.659 bonds (distance) P-C4' energy: -169.343 flat angles C4'-P-C4' energy: -170.098 flat angles P-C4'-P energy: -108.131 tors. eta vs tors. theta energy: -168.259 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: 4 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1977.544248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.544248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.544248 (E_RNA) where: Base-Base interactions energy: -1229.714 where: short stacking energy: -604.309 Base-Backbone interact. energy: -1.085 local terms energy: -746.745494 where: bonds (distance) C4'-P energy: -161.809 bonds (distance) P-C4' energy: -158.226 flat angles C4'-P-C4' energy: -166.154 flat angles P-C4'-P energy: -101.397 tors. eta vs tors. theta energy: -159.159 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: 2 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1666.675859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.675859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.675859 (E_RNA) where: Base-Base interactions energy: -1005.845 where: short stacking energy: -527.459 Base-Backbone interact. energy: -5.489 local terms energy: -655.341041 where: bonds (distance) C4'-P energy: -128.926 bonds (distance) P-C4' energy: -156.284 flat angles C4'-P-C4' energy: -168.348 flat angles P-C4'-P energy: -105.625 tors. eta vs tors. theta energy: -96.158 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: 40 Temperature: 1.100000 Total energy: -1578.020613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.020613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.020613 (E_RNA) where: Base-Base interactions energy: -935.755 where: short stacking energy: -475.600 Base-Backbone interact. energy: -0.520 local terms energy: -641.744898 where: bonds (distance) C4'-P energy: -144.881 bonds (distance) P-C4' energy: -147.015 flat angles C4'-P-C4' energy: -166.257 flat angles P-C4'-P energy: -89.913 tors. eta vs tors. theta energy: -93.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1356.703297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.703297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.703297 (E_RNA) where: Base-Base interactions energy: -809.896 where: short stacking energy: -377.988 Base-Backbone interact. energy: 0.067 local terms energy: -546.874614 where: bonds (distance) C4'-P energy: -143.598 bonds (distance) P-C4' energy: -147.336 flat angles C4'-P-C4' energy: -154.944 flat angles P-C4'-P energy: -75.267 tors. eta vs tors. theta energy: -25.729 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: 9 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1257.888797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.888797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.888797 (E_RNA) where: Base-Base interactions energy: -702.693 where: short stacking energy: -390.106 Base-Backbone interact. energy: -0.969 local terms energy: -554.226129 where: bonds (distance) C4'-P energy: -125.096 bonds (distance) P-C4' energy: -145.553 flat angles C4'-P-C4' energy: -143.682 flat angles P-C4'-P energy: -95.719 tors. eta vs tors. theta energy: -44.177 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: 1 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1031.009255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.009255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.009255 (E_RNA) where: Base-Base interactions energy: -510.068 where: short stacking energy: -313.918 Base-Backbone interact. energy: -1.388 local terms energy: -519.552776 where: bonds (distance) C4'-P energy: -125.314 bonds (distance) P-C4' energy: -148.522 flat angles C4'-P-C4' energy: -137.065 flat angles P-C4'-P energy: -77.521 tors. eta vs tors. theta energy: -31.131 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: 8 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -804.124394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.124394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.124394 (E_RNA) where: Base-Base interactions energy: -357.600 where: short stacking energy: -215.717 Base-Backbone interact. energy: 1.038 local terms energy: -447.562572 where: bonds (distance) C4'-P energy: -144.512 bonds (distance) P-C4' energy: -130.563 flat angles C4'-P-C4' energy: -114.215 flat angles P-C4'-P energy: -79.446 tors. eta vs tors. theta energy: 21.174 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: 10, replica: 7 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -598.885998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.885998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.885998 (E_RNA) where: Base-Base interactions energy: -236.543 where: short stacking energy: -181.035 Base-Backbone interact. energy: 6.271 local terms energy: -368.613860 where: bonds (distance) C4'-P energy: -138.409 bonds (distance) P-C4' energy: -118.810 flat angles C4'-P-C4' energy: -90.986 flat angles P-C4'-P energy: -51.428 tors. eta vs tors. theta energy: 31.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2306.433444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.433444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.433444 (E_RNA) where: Base-Base interactions energy: -1456.903 where: short stacking energy: -705.054 Base-Backbone interact. energy: -3.768 local terms energy: -845.761807 where: bonds (distance) C4'-P energy: -176.885 bonds (distance) P-C4' energy: -169.686 flat angles C4'-P-C4' energy: -176.732 flat angles P-C4'-P energy: -120.394 tors. eta vs tors. theta energy: -202.064 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: 6 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2200.562550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.562550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.562550 (E_RNA) where: Base-Base interactions energy: -1429.748 where: short stacking energy: -675.318 Base-Backbone interact. energy: 0.571 local terms energy: -771.385033 where: bonds (distance) C4'-P energy: -145.981 bonds (distance) P-C4' energy: -171.309 flat angles C4'-P-C4' energy: -163.969 flat angles P-C4'-P energy: -110.389 tors. eta vs tors. theta energy: -179.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1988.250845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.250845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.250845 (E_RNA) where: Base-Base interactions energy: -1267.532 where: short stacking energy: -599.574 Base-Backbone interact. energy: -0.381 local terms energy: -720.337655 where: bonds (distance) C4'-P energy: -152.625 bonds (distance) P-C4' energy: -147.623 flat angles C4'-P-C4' energy: -166.934 flat angles P-C4'-P energy: -110.351 tors. eta vs tors. theta energy: -142.806 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: 41 Temperature: 1.050000 Total energy: -1657.091106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.091106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.091106 (E_RNA) where: Base-Base interactions energy: -995.134 where: short stacking energy: -499.693 Base-Backbone interact. energy: -6.913 local terms energy: -655.044190 where: bonds (distance) C4'-P energy: -151.815 bonds (distance) P-C4' energy: -161.838 flat angles C4'-P-C4' energy: -137.531 flat angles P-C4'-P energy: -82.004 tors. eta vs tors. theta energy: -121.856 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: 5 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1562.925557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.925557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.925557 (E_RNA) where: Base-Base interactions energy: -962.135 where: short stacking energy: -478.500 Base-Backbone interact. energy: -5.247 local terms energy: -595.544062 where: bonds (distance) C4'-P energy: -136.460 bonds (distance) P-C4' energy: -132.302 flat angles C4'-P-C4' energy: -154.178 flat angles P-C4'-P energy: -81.010 tors. eta vs tors. theta energy: -91.593 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: 10 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1440.781387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.781387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.781387 (E_RNA) where: Base-Base interactions energy: -884.472 where: short stacking energy: -422.270 Base-Backbone interact. energy: 2.068 local terms energy: -558.377299 where: bonds (distance) C4'-P energy: -137.339 bonds (distance) P-C4' energy: -152.632 flat angles C4'-P-C4' energy: -134.342 flat angles P-C4'-P energy: -77.963 tors. eta vs tors. theta energy: -56.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1228.658987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.658987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.658987 (E_RNA) where: Base-Base interactions energy: -679.898 where: short stacking energy: -322.255 Base-Backbone interact. energy: -2.190 local terms energy: -546.571042 where: bonds (distance) C4'-P energy: -145.599 bonds (distance) P-C4' energy: -142.930 flat angles C4'-P-C4' energy: -152.815 flat angles P-C4'-P energy: -88.458 tors. eta vs tors. theta energy: -16.768 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: 41 Temperature: 1.250000 Total energy: -936.562406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.562406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.562406 (E_RNA) where: Base-Base interactions energy: -463.425 where: short stacking energy: -288.791 Base-Backbone interact. energy: 0.470 local terms energy: -473.607454 where: bonds (distance) C4'-P energy: -130.824 bonds (distance) P-C4' energy: -140.088 flat angles C4'-P-C4' energy: -117.625 flat angles P-C4'-P energy: -71.897 tors. eta vs tors. theta energy: -13.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -845.722186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.722186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.722186 (E_RNA) where: Base-Base interactions energy: -408.940 where: short stacking energy: -233.343 Base-Backbone interact. energy: -1.691 local terms energy: -435.090667 where: bonds (distance) C4'-P energy: -106.084 bonds (distance) P-C4' energy: -142.465 flat angles C4'-P-C4' energy: -102.980 flat angles P-C4'-P energy: -68.906 tors. eta vs tors. theta energy: -14.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -601.628561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.628561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.628561 (E_RNA) where: Base-Base interactions energy: -204.713 where: short stacking energy: -176.666 Base-Backbone interact. energy: 1.692 local terms energy: -398.607312 where: bonds (distance) C4'-P energy: -131.078 bonds (distance) P-C4' energy: -125.533 flat angles C4'-P-C4' energy: -104.380 flat angles P-C4'-P energy: -70.308 tors. eta vs tors. theta energy: 32.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2297.034546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.034546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.034546 (E_RNA) where: Base-Base interactions energy: -1489.817 where: short stacking energy: -680.158 Base-Backbone interact. energy: -7.642 local terms energy: -799.575550 where: bonds (distance) C4'-P energy: -154.100 bonds (distance) P-C4' energy: -188.424 flat angles C4'-P-C4' energy: -169.622 flat angles P-C4'-P energy: -105.863 tors. eta vs tors. theta energy: -181.567 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: 3 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2252.959216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.959216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.959216 (E_RNA) where: Base-Base interactions energy: -1433.896 where: short stacking energy: -698.042 Base-Backbone interact. energy: -1.155 local terms energy: -817.908520 where: bonds (distance) C4'-P energy: -146.278 bonds (distance) P-C4' energy: -175.735 flat angles C4'-P-C4' energy: -175.230 flat angles P-C4'-P energy: -106.777 tors. eta vs tors. theta energy: -213.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1945.478771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.478771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.478771 (E_RNA) where: Base-Base interactions energy: -1220.659 where: short stacking energy: -606.810 Base-Backbone interact. energy: -2.909 local terms energy: -721.910860 where: bonds (distance) C4'-P energy: -143.468 bonds (distance) P-C4' energy: -164.119 flat angles C4'-P-C4' energy: -173.803 flat angles P-C4'-P energy: -111.042 tors. eta vs tors. theta energy: -129.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1702.392602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.392602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.392602 (E_RNA) where: Base-Base interactions energy: -1045.948 where: short stacking energy: -488.822 Base-Backbone interact. energy: -3.187 local terms energy: -653.257284 where: bonds (distance) C4'-P energy: -135.641 bonds (distance) P-C4' energy: -158.613 flat angles C4'-P-C4' energy: -158.035 flat angles P-C4'-P energy: -93.295 tors. eta vs tors. theta energy: -107.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1644.800350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.800350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.800350 (E_RNA) where: Base-Base interactions energy: -962.646 where: short stacking energy: -495.747 Base-Backbone interact. energy: -0.822 local terms energy: -681.332484 where: bonds (distance) C4'-P energy: -148.135 bonds (distance) P-C4' energy: -159.206 flat angles C4'-P-C4' energy: -151.418 flat angles P-C4'-P energy: -106.525 tors. eta vs tors. theta energy: -116.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1490.683726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.683726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.683726 (E_RNA) where: Base-Base interactions energy: -913.236 where: short stacking energy: -463.731 Base-Backbone interact. energy: 1.735 local terms energy: -579.183258 where: bonds (distance) C4'-P energy: -128.291 bonds (distance) P-C4' energy: -154.797 flat angles C4'-P-C4' energy: -139.695 flat angles P-C4'-P energy: -86.745 tors. eta vs tors. theta energy: -69.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1273.628514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.628514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.628514 (E_RNA) where: Base-Base interactions energy: -709.950 where: short stacking energy: -378.463 Base-Backbone interact. energy: 1.405 local terms energy: -565.082982 where: bonds (distance) C4'-P energy: -133.081 bonds (distance) P-C4' energy: -148.327 flat angles C4'-P-C4' energy: -155.180 flat angles P-C4'-P energy: -76.795 tors. eta vs tors. theta energy: -51.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -928.871481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.871481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.871481 (E_RNA) where: Base-Base interactions energy: -480.246 where: short stacking energy: -254.524 Base-Backbone interact. energy: 4.927 local terms energy: -453.552718 where: bonds (distance) C4'-P energy: -148.057 bonds (distance) P-C4' energy: -144.518 flat angles C4'-P-C4' energy: -114.676 flat angles P-C4'-P energy: -37.967 tors. eta vs tors. theta energy: -8.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -829.244908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.244908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.244908 (E_RNA) where: Base-Base interactions energy: -380.729 where: short stacking energy: -233.597 Base-Backbone interact. energy: 1.296 local terms energy: -449.811369 where: bonds (distance) C4'-P energy: -121.164 bonds (distance) P-C4' energy: -137.586 flat angles C4'-P-C4' energy: -120.179 flat angles P-C4'-P energy: -62.486 tors. eta vs tors. theta energy: -8.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -621.556583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.556583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.556583 (E_RNA) where: Base-Base interactions energy: -246.835 where: short stacking energy: -206.318 Base-Backbone interact. energy: -1.180 local terms energy: -373.541840 where: bonds (distance) C4'-P energy: -117.135 bonds (distance) P-C4' energy: -119.318 flat angles C4'-P-C4' energy: -109.948 flat angles P-C4'-P energy: -50.807 tors. eta vs tors. theta energy: 23.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2373.782805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.782805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.782805 (E_RNA) where: Base-Base interactions energy: -1556.950 where: short stacking energy: -708.444 Base-Backbone interact. energy: 2.979 local terms energy: -819.811670 where: bonds (distance) C4'-P energy: -161.715 bonds (distance) P-C4' energy: -166.692 flat angles C4'-P-C4' energy: -178.625 flat angles P-C4'-P energy: -135.826 tors. eta vs tors. theta energy: -176.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2287.481526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.481526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.481526 (E_RNA) where: Base-Base interactions energy: -1504.564 where: short stacking energy: -702.971 Base-Backbone interact. energy: -1.013 local terms energy: -781.905150 where: bonds (distance) C4'-P energy: -147.643 bonds (distance) P-C4' energy: -164.260 flat angles C4'-P-C4' energy: -175.001 flat angles P-C4'-P energy: -110.579 tors. eta vs tors. theta energy: -184.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1960.700523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.700523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.700523 (E_RNA) where: Base-Base interactions energy: -1241.514 where: short stacking energy: -630.008 Base-Backbone interact. energy: -3.298 local terms energy: -715.888946 where: bonds (distance) C4'-P energy: -153.631 bonds (distance) P-C4' energy: -145.777 flat angles C4'-P-C4' energy: -160.045 flat angles P-C4'-P energy: -111.119 tors. eta vs tors. theta energy: -145.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1745.845718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.845718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.845718 (E_RNA) where: Base-Base interactions energy: -1085.009 where: short stacking energy: -540.513 Base-Backbone interact. energy: -2.113 local terms energy: -658.723118 where: bonds (distance) C4'-P energy: -140.726 bonds (distance) P-C4' energy: -157.849 flat angles C4'-P-C4' energy: -136.969 flat angles P-C4'-P energy: -94.090 tors. eta vs tors. theta energy: -129.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1587.527252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.527252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.527252 (E_RNA) where: Base-Base interactions energy: -981.271 where: short stacking energy: -477.753 Base-Backbone interact. energy: -2.415 local terms energy: -603.841816 where: bonds (distance) C4'-P energy: -140.104 bonds (distance) P-C4' energy: -144.895 flat angles C4'-P-C4' energy: -143.690 flat angles P-C4'-P energy: -83.932 tors. eta vs tors. theta energy: -91.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1467.305846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.305846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.305846 (E_RNA) where: Base-Base interactions energy: -888.061 where: short stacking energy: -458.814 Base-Backbone interact. energy: -2.249 local terms energy: -576.995482 where: bonds (distance) C4'-P energy: -118.457 bonds (distance) P-C4' energy: -161.301 flat angles C4'-P-C4' energy: -129.975 flat angles P-C4'-P energy: -83.695 tors. eta vs tors. theta energy: -83.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1314.136463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.136463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.136463 (E_RNA) where: Base-Base interactions energy: -748.845 where: short stacking energy: -375.390 Base-Backbone interact. energy: 0.587 local terms energy: -565.878513 where: bonds (distance) C4'-P energy: -129.901 bonds (distance) P-C4' energy: -146.091 flat angles C4'-P-C4' energy: -137.538 flat angles P-C4'-P energy: -92.281 tors. eta vs tors. theta energy: -60.068 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: 8, replica: 1 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -883.088013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.088013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.088013 (E_RNA) where: Base-Base interactions energy: -418.146 where: short stacking energy: -236.412 Base-Backbone interact. energy: -1.524 local terms energy: -463.418088 where: bonds (distance) C4'-P energy: -131.339 bonds (distance) P-C4' energy: -147.086 flat angles C4'-P-C4' energy: -127.835 flat angles P-C4'-P energy: -73.061 tors. eta vs tors. theta energy: 15.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -877.772501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.772501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.772501 (E_RNA) where: Base-Base interactions energy: -440.743 where: short stacking energy: -263.397 Base-Backbone interact. energy: 1.068 local terms energy: -438.097930 where: bonds (distance) C4'-P energy: -122.932 bonds (distance) P-C4' energy: -144.943 flat angles C4'-P-C4' energy: -118.228 flat angles P-C4'-P energy: -64.179 tors. eta vs tors. theta energy: 12.184 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: 7 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -601.410317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.410317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.410317 (E_RNA) where: Base-Base interactions energy: -243.092 where: short stacking energy: -185.847 Base-Backbone interact. energy: 2.371 local terms energy: -360.689613 where: bonds (distance) C4'-P energy: -108.945 bonds (distance) P-C4' energy: -126.706 flat angles C4'-P-C4' energy: -121.425 flat angles P-C4'-P energy: -43.663 tors. eta vs tors. theta energy: 40.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2318.443551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.443551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.443551 (E_RNA) where: Base-Base interactions energy: -1511.174 where: short stacking energy: -695.020 Base-Backbone interact. energy: -3.488 local terms energy: -803.781571 where: bonds (distance) C4'-P energy: -161.161 bonds (distance) P-C4' energy: -173.054 flat angles C4'-P-C4' energy: -177.894 flat angles P-C4'-P energy: -112.182 tors. eta vs tors. theta energy: -179.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2270.061808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.061808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.061808 (E_RNA) where: Base-Base interactions energy: -1475.634 where: short stacking energy: -692.726 Base-Backbone interact. energy: -2.484 local terms energy: -791.943290 where: bonds (distance) C4'-P energy: -153.037 bonds (distance) P-C4' energy: -163.357 flat angles C4'-P-C4' energy: -168.182 flat angles P-C4'-P energy: -117.321 tors. eta vs tors. theta energy: -190.046 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: 4 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1967.390556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.390556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.390556 (E_RNA) where: Base-Base interactions energy: -1222.475 where: short stacking energy: -630.678 Base-Backbone interact. energy: -1.916 local terms energy: -743.000024 where: bonds (distance) C4'-P energy: -142.339 bonds (distance) P-C4' energy: -157.892 flat angles C4'-P-C4' energy: -166.042 flat angles P-C4'-P energy: -109.604 tors. eta vs tors. theta energy: -167.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1762.594496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.594496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.594496 (E_RNA) where: Base-Base interactions energy: -1051.337 where: short stacking energy: -534.408 Base-Backbone interact. energy: -1.104 local terms energy: -710.153691 where: bonds (distance) C4'-P energy: -154.564 bonds (distance) P-C4' energy: -159.016 flat angles C4'-P-C4' energy: -165.963 flat angles P-C4'-P energy: -97.968 tors. eta vs tors. theta energy: -132.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1502.621442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.621442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.621442 (E_RNA) where: Base-Base interactions energy: -894.753 where: short stacking energy: -434.121 Base-Backbone interact. energy: -3.715 local terms energy: -604.154191 where: bonds (distance) C4'-P energy: -144.521 bonds (distance) P-C4' energy: -165.024 flat angles C4'-P-C4' energy: -147.418 flat angles P-C4'-P energy: -87.958 tors. eta vs tors. theta energy: -59.233 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: 5 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1490.766892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.766892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.766892 (E_RNA) where: Base-Base interactions energy: -901.311 where: short stacking energy: -391.746 Base-Backbone interact. energy: 1.907 local terms energy: -591.362730 where: bonds (distance) C4'-P energy: -139.784 bonds (distance) P-C4' energy: -144.430 flat angles C4'-P-C4' energy: -149.967 flat angles P-C4'-P energy: -107.200 tors. eta vs tors. theta energy: -49.982 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: 9 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1346.145292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.145292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.145292 (E_RNA) where: Base-Base interactions energy: -776.960 where: short stacking energy: -363.385 Base-Backbone interact. energy: 1.507 local terms energy: -570.692278 where: bonds (distance) C4'-P energy: -131.348 bonds (distance) P-C4' energy: -135.062 flat angles C4'-P-C4' energy: -164.697 flat angles P-C4'-P energy: -90.702 tors. eta vs tors. theta energy: -48.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -841.934412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.934412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.934412 (E_RNA) where: Base-Base interactions energy: -371.657 where: short stacking energy: -260.016 Base-Backbone interact. energy: -1.273 local terms energy: -469.004475 where: bonds (distance) C4'-P energy: -112.665 bonds (distance) P-C4' energy: -148.219 flat angles C4'-P-C4' energy: -125.733 flat angles P-C4'-P energy: -80.151 tors. eta vs tors. theta energy: -2.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -915.547398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.547398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.547398 (E_RNA) where: Base-Base interactions energy: -481.136 where: short stacking energy: -265.790 Base-Backbone interact. energy: -3.581 local terms energy: -430.829821 where: bonds (distance) C4'-P energy: -119.592 bonds (distance) P-C4' energy: -124.988 flat angles C4'-P-C4' energy: -116.155 flat angles P-C4'-P energy: -68.891 tors. eta vs tors. theta energy: -1.204 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: 10, replica: 7 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -592.946001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.946001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.946001 (E_RNA) where: Base-Base interactions energy: -208.375 where: short stacking energy: -186.447 Base-Backbone interact. energy: -3.772 local terms energy: -380.798547 where: bonds (distance) C4'-P energy: -130.040 bonds (distance) P-C4' energy: -108.318 flat angles C4'-P-C4' energy: -99.769 flat angles P-C4'-P energy: -66.052 tors. eta vs tors. theta energy: 23.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2338.328852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.328852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.328852 (E_RNA) where: Base-Base interactions energy: -1522.730 where: short stacking energy: -699.813 Base-Backbone interact. energy: -4.895 local terms energy: -810.703782 where: bonds (distance) C4'-P energy: -164.039 bonds (distance) P-C4' energy: -175.853 flat angles C4'-P-C4' energy: -173.769 flat angles P-C4'-P energy: -114.011 tors. eta vs tors. theta energy: -183.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2355.667429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.667429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.667429 (E_RNA) where: Base-Base interactions energy: -1533.780 where: short stacking energy: -692.872 Base-Backbone interact. energy: 1.879 local terms energy: -823.766788 where: bonds (distance) C4'-P energy: -171.975 bonds (distance) P-C4' energy: -172.925 flat angles C4'-P-C4' energy: -180.181 flat angles P-C4'-P energy: -113.252 tors. eta vs tors. theta energy: -185.434 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: 4 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1995.992365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.992365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.992365 (E_RNA) where: Base-Base interactions energy: -1246.135 where: short stacking energy: -621.696 Base-Backbone interact. energy: -6.736 local terms energy: -743.120826 where: bonds (distance) C4'-P energy: -156.743 bonds (distance) P-C4' energy: -154.232 flat angles C4'-P-C4' energy: -167.991 flat angles P-C4'-P energy: -105.513 tors. eta vs tors. theta energy: -158.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1729.364232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.364232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.364232 (E_RNA) where: Base-Base interactions energy: -1046.482 where: short stacking energy: -508.904 Base-Backbone interact. energy: -3.811 local terms energy: -679.071418 where: bonds (distance) C4'-P energy: -151.081 bonds (distance) P-C4' energy: -158.642 flat angles C4'-P-C4' energy: -161.137 flat angles P-C4'-P energy: -93.706 tors. eta vs tors. theta energy: -114.504 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: 10 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1489.328675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.328675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.328675 (E_RNA) where: Base-Base interactions energy: -870.735 where: short stacking energy: -435.471 Base-Backbone interact. energy: -3.419 local terms energy: -615.174437 where: bonds (distance) C4'-P energy: -141.552 bonds (distance) P-C4' energy: -162.194 flat angles C4'-P-C4' energy: -148.019 flat angles P-C4'-P energy: -85.479 tors. eta vs tors. theta energy: -77.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1437.210683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.210683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.210683 (E_RNA) where: Base-Base interactions energy: -848.111 where: short stacking energy: -428.592 Base-Backbone interact. energy: 0.825 local terms energy: -589.924334 where: bonds (distance) C4'-P energy: -141.438 bonds (distance) P-C4' energy: -148.844 flat angles C4'-P-C4' energy: -142.549 flat angles P-C4'-P energy: -86.718 tors. eta vs tors. theta energy: -70.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1314.448204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.448204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.448204 (E_RNA) where: Base-Base interactions energy: -785.558 where: short stacking energy: -404.434 Base-Backbone interact. energy: 5.179 local terms energy: -534.068881 where: bonds (distance) C4'-P energy: -113.811 bonds (distance) P-C4' energy: -140.548 flat angles C4'-P-C4' energy: -132.361 flat angles P-C4'-P energy: -76.468 tors. eta vs tors. theta energy: -70.881 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: 1 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -869.458054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.458054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.458054 (E_RNA) where: Base-Base interactions energy: -412.417 where: short stacking energy: -310.773 Base-Backbone interact. energy: 1.295 local terms energy: -458.336212 where: bonds (distance) C4'-P energy: -127.297 bonds (distance) P-C4' energy: -121.778 flat angles C4'-P-C4' energy: -106.789 flat angles P-C4'-P energy: -77.061 tors. eta vs tors. theta energy: -25.412 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: 8 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -848.160933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.160933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.160933 (E_RNA) where: Base-Base interactions energy: -369.518 where: short stacking energy: -252.933 Base-Backbone interact. energy: 0.570 local terms energy: -479.212643 where: bonds (distance) C4'-P energy: -136.300 bonds (distance) P-C4' energy: -138.587 flat angles C4'-P-C4' energy: -99.290 flat angles P-C4'-P energy: -81.513 tors. eta vs tors. theta energy: -23.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -616.229830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.229830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.229830 (E_RNA) where: Base-Base interactions energy: -215.363 where: short stacking energy: -174.353 Base-Backbone interact. energy: -0.623 local terms energy: -400.244402 where: bonds (distance) C4'-P energy: -135.542 bonds (distance) P-C4' energy: -136.651 flat angles C4'-P-C4' energy: -74.732 flat angles P-C4'-P energy: -74.675 tors. eta vs tors. theta energy: 21.354 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: 1, replica: 3 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2411.145063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.145063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.145063 (E_RNA) where: Base-Base interactions energy: -1610.550 where: short stacking energy: -735.594 Base-Backbone interact. energy: -2.183 local terms energy: -798.412037 where: bonds (distance) C4'-P energy: -146.803 bonds (distance) P-C4' energy: -142.460 flat angles C4'-P-C4' energy: -189.287 flat angles P-C4'-P energy: -120.717 tors. eta vs tors. theta energy: -199.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2272.646613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.646613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.646613 (E_RNA) where: Base-Base interactions energy: -1494.077 where: short stacking energy: -702.881 Base-Backbone interact. energy: -5.681 local terms energy: -772.887792 where: bonds (distance) C4'-P energy: -159.884 bonds (distance) P-C4' energy: -161.304 flat angles C4'-P-C4' energy: -167.206 flat angles P-C4'-P energy: -99.957 tors. eta vs tors. theta energy: -184.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2032.330663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.330663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.330663 (E_RNA) where: Base-Base interactions energy: -1266.798 where: short stacking energy: -642.127 Base-Backbone interact. energy: 2.583 local terms energy: -768.115645 where: bonds (distance) C4'-P energy: -155.219 bonds (distance) P-C4' energy: -163.644 flat angles C4'-P-C4' energy: -167.767 flat angles P-C4'-P energy: -119.708 tors. eta vs tors. theta energy: -161.777 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: 4, replica: 2 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1770.460464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.460464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.460464 (E_RNA) where: Base-Base interactions energy: -1070.346 where: short stacking energy: -569.503 Base-Backbone interact. energy: -2.142 local terms energy: -697.972804 where: bonds (distance) C4'-P energy: -155.007 bonds (distance) P-C4' energy: -165.209 flat angles C4'-P-C4' energy: -144.042 flat angles P-C4'-P energy: -96.190 tors. eta vs tors. theta energy: -137.525 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: 46 Temperature: 1.100000 Total energy: -1506.688335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.688335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.688335 (E_RNA) where: Base-Base interactions energy: -938.728 where: short stacking energy: -438.301 Base-Backbone interact. energy: -0.960 local terms energy: -567.000591 where: bonds (distance) C4'-P energy: -137.658 bonds (distance) P-C4' energy: -138.788 flat angles C4'-P-C4' energy: -148.264 flat angles P-C4'-P energy: -74.608 tors. eta vs tors. theta energy: -67.682 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: 5 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1463.172837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.172837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.172837 (E_RNA) where: Base-Base interactions energy: -875.985 where: short stacking energy: -450.386 Base-Backbone interact. energy: -1.297 local terms energy: -585.890840 where: bonds (distance) C4'-P energy: -136.067 bonds (distance) P-C4' energy: -146.601 flat angles C4'-P-C4' energy: -133.095 flat angles P-C4'-P energy: -88.677 tors. eta vs tors. theta energy: -81.451 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: 9 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1365.002612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.002612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.002612 (E_RNA) where: Base-Base interactions energy: -794.835 where: short stacking energy: -411.510 Base-Backbone interact. energy: 0.830 local terms energy: -570.997556 where: bonds (distance) C4'-P energy: -137.005 bonds (distance) P-C4' energy: -130.725 flat angles C4'-P-C4' energy: -150.706 flat angles P-C4'-P energy: -83.159 tors. eta vs tors. theta energy: -69.401 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: 1 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -846.887483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.887483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.887483 (E_RNA) where: Base-Base interactions energy: -396.545 where: short stacking energy: -247.781 Base-Backbone interact. energy: -2.267 local terms energy: -448.075611 where: bonds (distance) C4'-P energy: -131.930 bonds (distance) P-C4' energy: -128.580 flat angles C4'-P-C4' energy: -114.744 flat angles P-C4'-P energy: -85.750 tors. eta vs tors. theta energy: 12.928 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: 9, replica: 8 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -772.861086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.861086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.861086 (E_RNA) where: Base-Base interactions energy: -379.457 where: short stacking energy: -272.430 Base-Backbone interact. energy: 6.550 local terms energy: -399.953862 where: bonds (distance) C4'-P energy: -123.899 bonds (distance) P-C4' energy: -119.993 flat angles C4'-P-C4' energy: -132.236 flat angles P-C4'-P energy: -28.427 tors. eta vs tors. theta energy: 4.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -590.517828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.517828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.517828 (E_RNA) where: Base-Base interactions energy: -211.162 where: short stacking energy: -165.878 Base-Backbone interact. energy: -1.917 local terms energy: -377.438675 where: bonds (distance) C4'-P energy: -117.843 bonds (distance) P-C4' energy: -137.145 flat angles C4'-P-C4' energy: -104.822 flat angles P-C4'-P energy: -44.899 tors. eta vs tors. theta energy: 27.270 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: 3 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2412.464313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.464313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.464313 (E_RNA) where: Base-Base interactions energy: -1582.115 where: short stacking energy: -738.496 Base-Backbone interact. energy: -3.197 local terms energy: -827.152012 where: bonds (distance) C4'-P energy: -167.410 bonds (distance) P-C4' energy: -158.974 flat angles C4'-P-C4' energy: -181.491 flat angles P-C4'-P energy: -120.752 tors. eta vs tors. theta energy: -198.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2227.752389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.752389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.752389 (E_RNA) where: Base-Base interactions energy: -1462.360 where: short stacking energy: -671.935 Base-Backbone interact. energy: 3.517 local terms energy: -768.909156 where: bonds (distance) C4'-P energy: -159.091 bonds (distance) P-C4' energy: -160.856 flat angles C4'-P-C4' energy: -169.134 flat angles P-C4'-P energy: -108.046 tors. eta vs tors. theta energy: -171.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2025.661928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.661928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.661928 (E_RNA) where: Base-Base interactions energy: -1264.762 where: short stacking energy: -638.032 Base-Backbone interact. energy: -3.066 local terms energy: -757.834048 where: bonds (distance) C4'-P energy: -133.740 bonds (distance) P-C4' energy: -163.782 flat angles C4'-P-C4' energy: -174.655 flat angles P-C4'-P energy: -113.723 tors. eta vs tors. theta energy: -171.934 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: 2 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1773.405948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.405948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.405948 (E_RNA) where: Base-Base interactions energy: -1122.345 where: short stacking energy: -543.784 Base-Backbone interact. energy: -5.676 local terms energy: -645.384995 where: bonds (distance) C4'-P energy: -134.654 bonds (distance) P-C4' energy: -157.625 flat angles C4'-P-C4' energy: -143.801 flat angles P-C4'-P energy: -95.598 tors. eta vs tors. theta energy: -113.707 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: 5, replica: 10 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1603.609403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.609403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.609403 (E_RNA) where: Base-Base interactions energy: -995.448 where: short stacking energy: -455.585 Base-Backbone interact. energy: -2.108 local terms energy: -606.053289 where: bonds (distance) C4'-P energy: -141.549 bonds (distance) P-C4' energy: -137.769 flat angles C4'-P-C4' energy: -153.596 flat angles P-C4'-P energy: -84.846 tors. eta vs tors. theta energy: -88.294 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: 5 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1500.085071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.085071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.085071 (E_RNA) where: Base-Base interactions energy: -883.699 where: short stacking energy: -442.755 Base-Backbone interact. energy: -2.343 local terms energy: -614.042650 where: bonds (distance) C4'-P energy: -142.889 bonds (distance) P-C4' energy: -165.357 flat angles C4'-P-C4' energy: -141.826 flat angles P-C4'-P energy: -92.230 tors. eta vs tors. theta energy: -71.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1390.085533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.085533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.085533 (E_RNA) where: Base-Base interactions energy: -869.326 where: short stacking energy: -445.985 Base-Backbone interact. energy: -2.701 local terms energy: -518.058241 where: bonds (distance) C4'-P energy: -131.589 bonds (distance) P-C4' energy: -118.313 flat angles C4'-P-C4' energy: -126.998 flat angles P-C4'-P energy: -67.862 tors. eta vs tors. theta energy: -73.297 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: 47 Temperature: 1.250000 Total energy: -883.807477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.807477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.807477 (E_RNA) where: Base-Base interactions energy: -386.815 where: short stacking energy: -249.767 Base-Backbone interact. energy: -0.418 local terms energy: -496.574226 where: bonds (distance) C4'-P energy: -115.133 bonds (distance) P-C4' energy: -152.171 flat angles C4'-P-C4' energy: -138.733 flat angles P-C4'-P energy: -85.985 tors. eta vs tors. theta energy: -4.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -766.608726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.608726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.608726 (E_RNA) where: Base-Base interactions energy: -340.746 where: short stacking energy: -224.102 Base-Backbone interact. energy: -3.093 local terms energy: -422.768944 where: bonds (distance) C4'-P energy: -122.333 bonds (distance) P-C4' energy: -135.808 flat angles C4'-P-C4' energy: -113.568 flat angles P-C4'-P energy: -60.617 tors. eta vs tors. theta energy: 9.556 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: 7 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -637.936846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.936846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.936846 (E_RNA) where: Base-Base interactions energy: -208.641 where: short stacking energy: -185.921 Base-Backbone interact. energy: 0.619 local terms energy: -429.914949 where: bonds (distance) C4'-P energy: -128.435 bonds (distance) P-C4' energy: -137.252 flat angles C4'-P-C4' energy: -118.712 flat angles P-C4'-P energy: -62.902 tors. eta vs tors. theta energy: 17.386 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: 1, replica: 3 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2444.166943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.166943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.166943 (E_RNA) where: Base-Base interactions energy: -1601.922 where: short stacking energy: -776.245 Base-Backbone interact. energy: -3.878 local terms energy: -838.366496 where: bonds (distance) C4'-P energy: -145.816 bonds (distance) P-C4' energy: -175.709 flat angles C4'-P-C4' energy: -182.729 flat angles P-C4'-P energy: -117.437 tors. eta vs tors. theta energy: -216.675 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: 6 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2192.197319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.197319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.197319 (E_RNA) where: Base-Base interactions energy: -1445.906 where: short stacking energy: -637.246 Base-Backbone interact. energy: -0.740 local terms energy: -745.551550 where: bonds (distance) C4'-P energy: -150.229 bonds (distance) P-C4' energy: -160.018 flat angles C4'-P-C4' energy: -171.864 flat angles P-C4'-P energy: -110.499 tors. eta vs tors. theta energy: -152.943 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: 3, replica: 4 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2022.820612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.820612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.820612 (E_RNA) where: Base-Base interactions energy: -1275.042 where: short stacking energy: -637.625 Base-Backbone interact. energy: -3.858 local terms energy: -743.920837 where: bonds (distance) C4'-P energy: -144.240 bonds (distance) P-C4' energy: -159.970 flat angles C4'-P-C4' energy: -173.914 flat angles P-C4'-P energy: -103.747 tors. eta vs tors. theta energy: -162.050 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: 2 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1766.945015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.945015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.945015 (E_RNA) where: Base-Base interactions energy: -1065.274 where: short stacking energy: -534.960 Base-Backbone interact. energy: -2.700 local terms energy: -698.971265 where: bonds (distance) C4'-P energy: -155.881 bonds (distance) P-C4' energy: -159.041 flat angles C4'-P-C4' energy: -153.566 flat angles P-C4'-P energy: -103.268 tors. eta vs tors. theta energy: -127.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1602.404594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.404594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.404594 (E_RNA) where: Base-Base interactions energy: -968.997 where: short stacking energy: -488.187 Base-Backbone interact. energy: 2.423 local terms energy: -635.830856 where: bonds (distance) C4'-P energy: -161.087 bonds (distance) P-C4' energy: -136.543 flat angles C4'-P-C4' energy: -135.218 flat angles P-C4'-P energy: -96.646 tors. eta vs tors. theta energy: -106.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1526.176228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.176228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.176228 (E_RNA) where: Base-Base interactions energy: -933.788 where: short stacking energy: -443.519 Base-Backbone interact. energy: -4.455 local terms energy: -587.933569 where: bonds (distance) C4'-P energy: -146.288 bonds (distance) P-C4' energy: -158.843 flat angles C4'-P-C4' energy: -134.718 flat angles P-C4'-P energy: -71.141 tors. eta vs tors. theta energy: -76.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1395.585242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.585242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.585242 (E_RNA) where: Base-Base interactions energy: -800.592 where: short stacking energy: -437.346 Base-Backbone interact. energy: -1.746 local terms energy: -593.247046 where: bonds (distance) C4'-P energy: -142.138 bonds (distance) P-C4' energy: -139.628 flat angles C4'-P-C4' energy: -149.037 flat angles P-C4'-P energy: -81.053 tors. eta vs tors. theta energy: -81.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -955.128146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.128146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.128146 (E_RNA) where: Base-Base interactions energy: -485.589 where: short stacking energy: -265.524 Base-Backbone interact. energy: -5.299 local terms energy: -464.239708 where: bonds (distance) C4'-P energy: -113.105 bonds (distance) P-C4' energy: -153.459 flat angles C4'-P-C4' energy: -105.962 flat angles P-C4'-P energy: -72.790 tors. eta vs tors. theta energy: -18.924 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: 8 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -828.978672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.978672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.978672 (E_RNA) where: Base-Base interactions energy: -379.807 where: short stacking energy: -240.678 Base-Backbone interact. energy: 9.085 local terms energy: -458.256527 where: bonds (distance) C4'-P energy: -126.264 bonds (distance) P-C4' energy: -140.901 flat angles C4'-P-C4' energy: -130.242 flat angles P-C4'-P energy: -63.805 tors. eta vs tors. theta energy: 2.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -608.468305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.468305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.468305 (E_RNA) where: Base-Base interactions energy: -200.357 where: short stacking energy: -171.618 Base-Backbone interact. energy: 2.033 local terms energy: -410.144978 where: bonds (distance) C4'-P energy: -131.229 bonds (distance) P-C4' energy: -129.796 flat angles C4'-P-C4' energy: -116.515 flat angles P-C4'-P energy: -67.684 tors. eta vs tors. theta energy: 35.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2469.820956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.820956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.820956 (E_RNA) where: Base-Base interactions energy: -1656.554 where: short stacking energy: -792.900 Base-Backbone interact. energy: -3.040 local terms energy: -810.226366 where: bonds (distance) C4'-P energy: -151.128 bonds (distance) P-C4' energy: -161.165 flat angles C4'-P-C4' energy: -173.270 flat angles P-C4'-P energy: -111.004 tors. eta vs tors. theta energy: -213.659 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: 2, replica: 6 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2215.011916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.011916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.011916 (E_RNA) where: Base-Base interactions energy: -1467.463 where: short stacking energy: -644.109 Base-Backbone interact. energy: 1.312 local terms energy: -748.860602 where: bonds (distance) C4'-P energy: -149.704 bonds (distance) P-C4' energy: -170.522 flat angles C4'-P-C4' energy: -159.260 flat angles P-C4'-P energy: -106.584 tors. eta vs tors. theta energy: -162.790 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: 3, replica: 4 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2008.803023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.803023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.803023 (E_RNA) where: Base-Base interactions energy: -1247.958 where: short stacking energy: -600.447 Base-Backbone interact. energy: 0.366 local terms energy: -761.211764 where: bonds (distance) C4'-P energy: -160.180 bonds (distance) P-C4' energy: -156.799 flat angles C4'-P-C4' energy: -170.857 flat angles P-C4'-P energy: -110.166 tors. eta vs tors. theta energy: -163.211 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: 2 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1770.947753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.947753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.947753 (E_RNA) where: Base-Base interactions energy: -1107.064 where: short stacking energy: -562.455 Base-Backbone interact. energy: -2.518 local terms energy: -661.366192 where: bonds (distance) C4'-P energy: -142.972 bonds (distance) P-C4' energy: -145.307 flat angles C4'-P-C4' energy: -147.535 flat angles P-C4'-P energy: -112.136 tors. eta vs tors. theta energy: -113.417 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: 49 Temperature: 1.100000 Total energy: -1621.069439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.069439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.069439 (E_RNA) where: Base-Base interactions energy: -1004.945 where: short stacking energy: -490.221 Base-Backbone interact. energy: -4.248 local terms energy: -611.876569 where: bonds (distance) C4'-P energy: -119.868 bonds (distance) P-C4' energy: -150.341 flat angles C4'-P-C4' energy: -161.116 flat angles P-C4'-P energy: -92.843 tors. eta vs tors. theta energy: -87.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1514.473838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.473838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.473838 (E_RNA) where: Base-Base interactions energy: -922.173 where: short stacking energy: -424.144 Base-Backbone interact. energy: -4.363 local terms energy: -587.938397 where: bonds (distance) C4'-P energy: -131.825 bonds (distance) P-C4' energy: -139.953 flat angles C4'-P-C4' energy: -148.799 flat angles P-C4'-P energy: -95.471 tors. eta vs tors. theta energy: -71.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1377.785996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.785996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.785996 (E_RNA) where: Base-Base interactions energy: -825.931 where: short stacking energy: -395.933 Base-Backbone interact. energy: -5.615 local terms energy: -546.239809 where: bonds (distance) C4'-P energy: -138.912 bonds (distance) P-C4' energy: -139.404 flat angles C4'-P-C4' energy: -130.574 flat angles P-C4'-P energy: -71.462 tors. eta vs tors. theta energy: -65.889 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: 1 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1001.292529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.292529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.292529 (E_RNA) where: Base-Base interactions energy: -544.454 where: short stacking energy: -321.236 Base-Backbone interact. energy: 4.066 local terms energy: -460.903634 where: bonds (distance) C4'-P energy: -114.767 bonds (distance) P-C4' energy: -130.432 flat angles C4'-P-C4' energy: -118.673 flat angles P-C4'-P energy: -74.784 tors. eta vs tors. theta energy: -22.249 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: 8 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -848.293280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.293280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.293280 (E_RNA) where: Base-Base interactions energy: -381.466 where: short stacking energy: -242.815 Base-Backbone interact. energy: -4.199 local terms energy: -462.628844 where: bonds (distance) C4'-P energy: -122.771 bonds (distance) P-C4' energy: -140.797 flat angles C4'-P-C4' energy: -135.035 flat angles P-C4'-P energy: -79.009 tors. eta vs tors. theta energy: 14.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -667.160289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.160289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.160289 (E_RNA) where: Base-Base interactions energy: -251.921 where: short stacking energy: -174.397 Base-Backbone interact. energy: 0.803 local terms energy: -416.042903 where: bonds (distance) C4'-P energy: -135.414 bonds (distance) P-C4' energy: -135.634 flat angles C4'-P-C4' energy: -125.716 flat angles P-C4'-P energy: -57.900 tors. eta vs tors. theta energy: 38.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2447.339538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.339538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.339538 (E_RNA) where: Base-Base interactions energy: -1620.106 where: short stacking energy: -758.650 Base-Backbone interact. energy: -2.995 local terms energy: -824.238744 where: bonds (distance) C4'-P energy: -152.127 bonds (distance) P-C4' energy: -172.829 flat angles C4'-P-C4' energy: -188.877 flat angles P-C4'-P energy: -116.020 tors. eta vs tors. theta energy: -194.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2290.633935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.633935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.633935 (E_RNA) where: Base-Base interactions energy: -1513.509 where: short stacking energy: -720.721 Base-Backbone interact. energy: 2.614 local terms energy: -779.738242 where: bonds (distance) C4'-P energy: -163.417 bonds (distance) P-C4' energy: -151.379 flat angles C4'-P-C4' energy: -173.327 flat angles P-C4'-P energy: -101.688 tors. eta vs tors. theta energy: -189.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2028.630107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.630107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.630107 (E_RNA) where: Base-Base interactions energy: -1313.781 where: short stacking energy: -645.082 Base-Backbone interact. energy: -1.999 local terms energy: -712.849644 where: bonds (distance) C4'-P energy: -158.315 bonds (distance) P-C4' energy: -139.101 flat angles C4'-P-C4' energy: -153.885 flat angles P-C4'-P energy: -98.811 tors. eta vs tors. theta energy: -162.738 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: 50 Temperature: 1.050000 Total energy: -1816.363418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.363418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.363418 (E_RNA) where: Base-Base interactions energy: -1129.622 where: short stacking energy: -555.186 Base-Backbone interact. energy: -3.753 local terms energy: -682.988820 where: bonds (distance) C4'-P energy: -153.113 bonds (distance) P-C4' energy: -147.877 flat angles C4'-P-C4' energy: -170.032 flat angles P-C4'-P energy: -97.415 tors. eta vs tors. theta energy: -114.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1743.458002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.458002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.458002 (E_RNA) where: Base-Base interactions energy: -1088.573 where: short stacking energy: -541.555 Base-Backbone interact. energy: -2.029 local terms energy: -652.856504 where: bonds (distance) C4'-P energy: -140.168 bonds (distance) P-C4' energy: -140.153 flat angles C4'-P-C4' energy: -160.422 flat angles P-C4'-P energy: -90.544 tors. eta vs tors. theta energy: -121.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1519.770896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.770896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.770896 (E_RNA) where: Base-Base interactions energy: -907.326 where: short stacking energy: -449.368 Base-Backbone interact. energy: -1.802 local terms energy: -610.642477 where: bonds (distance) C4'-P energy: -127.888 bonds (distance) P-C4' energy: -152.005 flat angles C4'-P-C4' energy: -146.182 flat angles P-C4'-P energy: -98.318 tors. eta vs tors. theta energy: -86.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1381.214401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.214401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.214401 (E_RNA) where: Base-Base interactions energy: -801.082 where: short stacking energy: -416.605 Base-Backbone interact. energy: 3.081 local terms energy: -583.213565 where: bonds (distance) C4'-P energy: -123.092 bonds (distance) P-C4' energy: -145.769 flat angles C4'-P-C4' energy: -142.020 flat angles P-C4'-P energy: -95.727 tors. eta vs tors. theta energy: -76.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -986.414185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.414185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.414185 (E_RNA) where: Base-Base interactions energy: -516.129 where: short stacking energy: -287.562 Base-Backbone interact. energy: -1.226 local terms energy: -469.059118 where: bonds (distance) C4'-P energy: -135.183 bonds (distance) P-C4' energy: -132.634 flat angles C4'-P-C4' energy: -108.150 flat angles P-C4'-P energy: -79.331 tors. eta vs tors. theta energy: -13.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -824.248255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.248255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.248255 (E_RNA) where: Base-Base interactions energy: -388.218 where: short stacking energy: -228.859 Base-Backbone interact. energy: -4.046 local terms energy: -431.983650 where: bonds (distance) C4'-P energy: -109.438 bonds (distance) P-C4' energy: -158.264 flat angles C4'-P-C4' energy: -109.018 flat angles P-C4'-P energy: -60.155 tors. eta vs tors. theta energy: 4.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -643.884495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.884495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.884495 (E_RNA) where: Base-Base interactions energy: -252.179 where: short stacking energy: -191.281 Base-Backbone interact. energy: 3.876 local terms energy: -395.581073 where: bonds (distance) C4'-P energy: -125.068 bonds (distance) P-C4' energy: -137.612 flat angles C4'-P-C4' energy: -110.040 flat angles P-C4'-P energy: -48.601 tors. eta vs tors. theta energy: 25.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2441.941911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.941911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.941911 (E_RNA) where: Base-Base interactions energy: -1615.808 where: short stacking energy: -761.165 Base-Backbone interact. energy: -3.402 local terms energy: -822.732332 where: bonds (distance) C4'-P energy: -159.950 bonds (distance) P-C4' energy: -157.751 flat angles C4'-P-C4' energy: -175.720 flat angles P-C4'-P energy: -111.393 tors. eta vs tors. theta energy: -217.919 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: 6 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2227.783214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.783214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.783214 (E_RNA) where: Base-Base interactions energy: -1476.974 where: short stacking energy: -656.108 Base-Backbone interact. energy: -1.229 local terms energy: -749.579850 where: bonds (distance) C4'-P energy: -151.034 bonds (distance) P-C4' energy: -171.718 flat angles C4'-P-C4' energy: -159.196 flat angles P-C4'-P energy: -105.180 tors. eta vs tors. theta energy: -162.452 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: 4 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2029.715173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.715173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.715173 (E_RNA) where: Base-Base interactions energy: -1291.831 where: short stacking energy: -618.515 Base-Backbone interact. energy: -3.005 local terms energy: -734.878605 where: bonds (distance) C4'-P energy: -158.412 bonds (distance) P-C4' energy: -158.162 flat angles C4'-P-C4' energy: -149.048 flat angles P-C4'-P energy: -99.488 tors. eta vs tors. theta energy: -169.767 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: 2 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1803.045736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.045736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.045736 (E_RNA) where: Base-Base interactions energy: -1117.615 where: short stacking energy: -552.036 Base-Backbone interact. energy: -4.720 local terms energy: -680.711266 where: bonds (distance) C4'-P energy: -137.179 bonds (distance) P-C4' energy: -158.717 flat angles C4'-P-C4' energy: -169.612 flat angles P-C4'-P energy: -91.082 tors. eta vs tors. theta energy: -124.121 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: 51 Temperature: 1.100000 Total energy: -1754.772649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.772649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.772649 (E_RNA) where: Base-Base interactions energy: -1091.649 where: short stacking energy: -516.916 Base-Backbone interact. energy: -3.030 local terms energy: -660.093208 where: bonds (distance) C4'-P energy: -146.860 bonds (distance) P-C4' energy: -153.435 flat angles C4'-P-C4' energy: -159.673 flat angles P-C4'-P energy: -77.385 tors. eta vs tors. theta energy: -122.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1536.007401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.007401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.007401 (E_RNA) where: Base-Base interactions energy: -933.871 where: short stacking energy: -424.308 Base-Backbone interact. energy: -2.676 local terms energy: -599.460774 where: bonds (distance) C4'-P energy: -148.296 bonds (distance) P-C4' energy: -146.168 flat angles C4'-P-C4' energy: -151.258 flat angles P-C4'-P energy: -87.065 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: 7, replica: 9 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1385.245022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.245022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.245022 (E_RNA) where: Base-Base interactions energy: -784.011 where: short stacking energy: -379.032 Base-Backbone interact. energy: -0.198 local terms energy: -601.035893 where: bonds (distance) C4'-P energy: -135.788 bonds (distance) P-C4' energy: -152.133 flat angles C4'-P-C4' energy: -154.466 flat angles P-C4'-P energy: -90.765 tors. eta vs tors. theta energy: -67.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1080.501441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.501441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.501441 (E_RNA) where: Base-Base interactions energy: -582.706 where: short stacking energy: -300.646 Base-Backbone interact. energy: 2.875 local terms energy: -500.670829 where: bonds (distance) C4'-P energy: -130.133 bonds (distance) P-C4' energy: -126.859 flat angles C4'-P-C4' energy: -142.756 flat angles P-C4'-P energy: -89.081 tors. eta vs tors. theta energy: -11.841 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: 8 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -846.579548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.579548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.579548 (E_RNA) where: Base-Base interactions energy: -424.020 where: short stacking energy: -266.621 Base-Backbone interact. energy: 3.171 local terms energy: -425.730878 where: bonds (distance) C4'-P energy: -127.816 bonds (distance) P-C4' energy: -128.431 flat angles C4'-P-C4' energy: -124.174 flat angles P-C4'-P energy: -54.039 tors. eta vs tors. theta energy: 8.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -667.141338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.141338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.141338 (E_RNA) where: Base-Base interactions energy: -245.267 where: short stacking energy: -170.849 Base-Backbone interact. energy: 6.248 local terms energy: -428.122994 where: bonds (distance) C4'-P energy: -144.895 bonds (distance) P-C4' energy: -137.025 flat angles C4'-P-C4' energy: -106.151 flat angles P-C4'-P energy: -65.746 tors. eta vs tors. theta energy: 25.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2460.216667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.216667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.216667 (E_RNA) where: Base-Base interactions energy: -1623.810 where: short stacking energy: -767.065 Base-Backbone interact. energy: -2.740 local terms energy: -833.666913 where: bonds (distance) C4'-P energy: -168.354 bonds (distance) P-C4' energy: -164.512 flat angles C4'-P-C4' energy: -168.729 flat angles P-C4'-P energy: -121.056 tors. eta vs tors. theta energy: -211.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2249.834359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.834359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.834359 (E_RNA) where: Base-Base interactions energy: -1467.332 where: short stacking energy: -706.606 Base-Backbone interact. energy: -1.574 local terms energy: -780.927554 where: bonds (distance) C4'-P energy: -160.132 bonds (distance) P-C4' energy: -158.249 flat angles C4'-P-C4' energy: -170.603 flat angles P-C4'-P energy: -101.068 tors. eta vs tors. theta energy: -190.876 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: 3, replica: 4 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2084.512116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.512116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.512116 (E_RNA) where: Base-Base interactions energy: -1311.541 where: short stacking energy: -639.358 Base-Backbone interact. energy: -3.151 local terms energy: -769.820534 where: bonds (distance) C4'-P energy: -148.135 bonds (distance) P-C4' energy: -164.537 flat angles C4'-P-C4' energy: -171.212 flat angles P-C4'-P energy: -115.957 tors. eta vs tors. theta energy: -169.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1781.907069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.907069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.907069 (E_RNA) where: Base-Base interactions energy: -1103.127 where: short stacking energy: -529.237 Base-Backbone interact. energy: -2.470 local terms energy: -676.310437 where: bonds (distance) C4'-P energy: -141.015 bonds (distance) P-C4' energy: -149.721 flat angles C4'-P-C4' energy: -147.520 flat angles P-C4'-P energy: -113.825 tors. eta vs tors. theta energy: -124.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1799.982026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.982026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.982026 (E_RNA) where: Base-Base interactions energy: -1123.789 where: short stacking energy: -548.203 Base-Backbone interact. energy: -1.121 local terms energy: -675.071916 where: bonds (distance) C4'-P energy: -138.371 bonds (distance) P-C4' energy: -152.101 flat angles C4'-P-C4' energy: -166.441 flat angles P-C4'-P energy: -88.827 tors. eta vs tors. theta energy: -129.331 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: 5 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1532.622968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.622968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.622968 (E_RNA) where: Base-Base interactions energy: -958.191 where: short stacking energy: -446.849 Base-Backbone interact. energy: -3.040 local terms energy: -571.391991 where: bonds (distance) C4'-P energy: -140.448 bonds (distance) P-C4' energy: -138.345 flat angles C4'-P-C4' energy: -138.547 flat angles P-C4'-P energy: -93.144 tors. eta vs tors. theta energy: -60.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1346.900010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.900010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.900010 (E_RNA) where: Base-Base interactions energy: -811.330 where: short stacking energy: -420.255 Base-Backbone interact. energy: -0.411 local terms energy: -535.158666 where: bonds (distance) C4'-P energy: -124.232 bonds (distance) P-C4' energy: -131.041 flat angles C4'-P-C4' energy: -139.761 flat angles P-C4'-P energy: -76.664 tors. eta vs tors. theta energy: -63.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1096.901803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.901803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.901803 (E_RNA) where: Base-Base interactions energy: -621.937 where: short stacking energy: -329.635 Base-Backbone interact. energy: -0.642 local terms energy: -474.323668 where: bonds (distance) C4'-P energy: -131.060 bonds (distance) P-C4' energy: -113.001 flat angles C4'-P-C4' energy: -126.419 flat angles P-C4'-P energy: -65.659 tors. eta vs tors. theta energy: -38.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -862.450860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.450860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.450860 (E_RNA) where: Base-Base interactions energy: -418.059 where: short stacking energy: -266.882 Base-Backbone interact. energy: 1.516 local terms energy: -445.908356 where: bonds (distance) C4'-P energy: -119.564 bonds (distance) P-C4' energy: -138.909 flat angles C4'-P-C4' energy: -116.741 flat angles P-C4'-P energy: -74.554 tors. eta vs tors. theta energy: 3.859 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: 10, replica: 7 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -682.506882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.506882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.506882 (E_RNA) where: Base-Base interactions energy: -257.792 where: short stacking energy: -193.600 Base-Backbone interact. energy: -3.494 local terms energy: -421.221051 where: bonds (distance) C4'-P energy: -131.390 bonds (distance) P-C4' energy: -145.809 flat angles C4'-P-C4' energy: -119.522 flat angles P-C4'-P energy: -60.417 tors. eta vs tors. theta energy: 35.916 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: 3 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2473.495202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.495202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.495202 (E_RNA) where: Base-Base interactions energy: -1645.938 where: short stacking energy: -771.957 Base-Backbone interact. energy: 0.060 local terms energy: -827.617346 where: bonds (distance) C4'-P energy: -150.885 bonds (distance) P-C4' energy: -173.476 flat angles C4'-P-C4' energy: -177.598 flat angles P-C4'-P energy: -110.232 tors. eta vs tors. theta energy: -215.426 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: 6 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2254.236797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.236797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.236797 (E_RNA) where: Base-Base interactions energy: -1497.462 where: short stacking energy: -661.416 Base-Backbone interact. energy: -2.594 local terms energy: -754.180755 where: bonds (distance) C4'-P energy: -150.017 bonds (distance) P-C4' energy: -163.317 flat angles C4'-P-C4' energy: -171.331 flat angles P-C4'-P energy: -94.820 tors. eta vs tors. theta energy: -174.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2026.428861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.428861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.428861 (E_RNA) where: Base-Base interactions energy: -1317.054 where: short stacking energy: -626.373 Base-Backbone interact. energy: -1.191 local terms energy: -708.184035 where: bonds (distance) C4'-P energy: -139.597 bonds (distance) P-C4' energy: -154.156 flat angles C4'-P-C4' energy: -169.608 flat angles P-C4'-P energy: -94.190 tors. eta vs tors. theta energy: -150.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1791.363561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.363561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.363561 (E_RNA) where: Base-Base interactions energy: -1075.099 where: short stacking energy: -521.227 Base-Backbone interact. energy: -2.646 local terms energy: -713.618987 where: bonds (distance) C4'-P energy: -156.648 bonds (distance) P-C4' energy: -158.526 flat angles C4'-P-C4' energy: -158.721 flat angles P-C4'-P energy: -115.580 tors. eta vs tors. theta energy: -124.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1706.832953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.832953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.832953 (E_RNA) where: Base-Base interactions energy: -1064.876 where: short stacking energy: -514.136 Base-Backbone interact. energy: 0.656 local terms energy: -642.612656 where: bonds (distance) C4'-P energy: -127.385 bonds (distance) P-C4' energy: -158.039 flat angles C4'-P-C4' energy: -150.204 flat angles P-C4'-P energy: -90.390 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: 5 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1512.203250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.203250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.203250 (E_RNA) where: Base-Base interactions energy: -914.652 where: short stacking energy: -434.552 Base-Backbone interact. energy: 1.451 local terms energy: -599.002031 where: bonds (distance) C4'-P energy: -141.718 bonds (distance) P-C4' energy: -146.705 flat angles C4'-P-C4' energy: -154.415 flat angles P-C4'-P energy: -92.754 tors. eta vs tors. theta energy: -63.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1355.458862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.458862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.458862 (E_RNA) where: Base-Base interactions energy: -804.340 where: short stacking energy: -382.343 Base-Backbone interact. energy: -0.843 local terms energy: -550.276316 where: bonds (distance) C4'-P energy: -117.972 bonds (distance) P-C4' energy: -152.217 flat angles C4'-P-C4' energy: -126.150 flat angles P-C4'-P energy: -95.296 tors. eta vs tors. theta energy: -58.641 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: 1 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1035.423998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.423998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.423998 (E_RNA) where: Base-Base interactions energy: -519.104 where: short stacking energy: -293.957 Base-Backbone interact. energy: 2.497 local terms energy: -518.817452 where: bonds (distance) C4'-P energy: -147.334 bonds (distance) P-C4' energy: -149.089 flat angles C4'-P-C4' energy: -142.415 flat angles P-C4'-P energy: -63.629 tors. eta vs tors. theta energy: -16.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -935.448530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.448530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.448530 (E_RNA) where: Base-Base interactions energy: -459.872 where: short stacking energy: -260.545 Base-Backbone interact. energy: 2.373 local terms energy: -477.949972 where: bonds (distance) C4'-P energy: -140.307 bonds (distance) P-C4' energy: -134.022 flat angles C4'-P-C4' energy: -100.248 flat angles P-C4'-P energy: -78.457 tors. eta vs tors. theta energy: -24.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -776.312578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.312578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.312578 (E_RNA) where: Base-Base interactions energy: -370.858 where: short stacking energy: -202.273 Base-Backbone interact. energy: -2.328 local terms energy: -403.126554 where: bonds (distance) C4'-P energy: -110.883 bonds (distance) P-C4' energy: -140.024 flat angles C4'-P-C4' energy: -109.940 flat angles P-C4'-P energy: -67.104 tors. eta vs tors. theta energy: 24.825 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: 1, replica: 3 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2489.019563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.019563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.019563 (E_RNA) where: Base-Base interactions energy: -1673.059 where: short stacking energy: -777.321 Base-Backbone interact. energy: -2.729 local terms energy: -813.231893 where: bonds (distance) C4'-P energy: -151.858 bonds (distance) P-C4' energy: -160.681 flat angles C4'-P-C4' energy: -159.619 flat angles P-C4'-P energy: -118.009 tors. eta vs tors. theta energy: -223.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2301.648817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.648817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.648817 (E_RNA) where: Base-Base interactions energy: -1529.811 where: short stacking energy: -695.767 Base-Backbone interact. energy: -2.616 local terms energy: -769.221524 where: bonds (distance) C4'-P energy: -140.979 bonds (distance) P-C4' energy: -160.883 flat angles C4'-P-C4' energy: -162.946 flat angles P-C4'-P energy: -116.434 tors. eta vs tors. theta energy: -187.980 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: 4 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2104.510152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.510152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.510152 (E_RNA) where: Base-Base interactions energy: -1309.119 where: short stacking energy: -631.977 Base-Backbone interact. energy: 1.494 local terms energy: -796.884702 where: bonds (distance) C4'-P energy: -173.972 bonds (distance) P-C4' energy: -178.613 flat angles C4'-P-C4' energy: -168.308 flat angles P-C4'-P energy: -101.401 tors. eta vs tors. theta energy: -174.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1788.529715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.529715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.529715 (E_RNA) where: Base-Base interactions energy: -1100.972 where: short stacking energy: -541.371 Base-Backbone interact. energy: 2.619 local terms energy: -690.176190 where: bonds (distance) C4'-P energy: -146.587 bonds (distance) P-C4' energy: -163.708 flat angles C4'-P-C4' energy: -162.690 flat angles P-C4'-P energy: -101.399 tors. eta vs tors. theta energy: -115.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1715.596362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.596362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.596362 (E_RNA) where: Base-Base interactions energy: -1076.389 where: short stacking energy: -521.374 Base-Backbone interact. energy: -1.097 local terms energy: -638.110526 where: bonds (distance) C4'-P energy: -130.075 bonds (distance) P-C4' energy: -129.241 flat angles C4'-P-C4' energy: -157.491 flat angles P-C4'-P energy: -100.018 tors. eta vs tors. theta energy: -121.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1519.863525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.863525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.863525 (E_RNA) where: Base-Base interactions energy: -929.094 where: short stacking energy: -434.415 Base-Backbone interact. energy: -0.405 local terms energy: -590.365063 where: bonds (distance) C4'-P energy: -136.040 bonds (distance) P-C4' energy: -144.380 flat angles C4'-P-C4' energy: -159.466 flat angles P-C4'-P energy: -76.628 tors. eta vs tors. theta energy: -73.850 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: 9 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1422.452443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.452443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.452443 (E_RNA) where: Base-Base interactions energy: -859.639 where: short stacking energy: -411.029 Base-Backbone interact. energy: 1.152 local terms energy: -563.966107 where: bonds (distance) C4'-P energy: -132.951 bonds (distance) P-C4' energy: -133.340 flat angles C4'-P-C4' energy: -137.502 flat angles P-C4'-P energy: -93.715 tors. eta vs tors. theta energy: -66.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1107.742281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.742281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.742281 (E_RNA) where: Base-Base interactions energy: -552.572 where: short stacking energy: -325.624 Base-Backbone interact. energy: -3.725 local terms energy: -551.445214 where: bonds (distance) C4'-P energy: -136.964 bonds (distance) P-C4' energy: -145.766 flat angles C4'-P-C4' energy: -141.822 flat angles P-C4'-P energy: -90.595 tors. eta vs tors. theta energy: -36.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -907.669623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.669623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.669623 (E_RNA) where: Base-Base interactions energy: -454.725 where: short stacking energy: -268.728 Base-Backbone interact. energy: -0.193 local terms energy: -452.751964 where: bonds (distance) C4'-P energy: -113.164 bonds (distance) P-C4' energy: -134.975 flat angles C4'-P-C4' energy: -122.542 flat angles P-C4'-P energy: -67.174 tors. eta vs tors. theta energy: -14.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -747.917509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.917509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.917509 (E_RNA) where: Base-Base interactions energy: -329.288 where: short stacking energy: -191.362 Base-Backbone interact. energy: 0.204 local terms energy: -418.832810 where: bonds (distance) C4'-P energy: -124.265 bonds (distance) P-C4' energy: -150.535 flat angles C4'-P-C4' energy: -89.921 flat angles P-C4'-P energy: -69.406 tors. eta vs tors. theta energy: 15.294 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: 3 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2506.298552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.298552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.298552 (E_RNA) where: Base-Base interactions energy: -1685.938 where: short stacking energy: -774.005 Base-Backbone interact. energy: 0.741 local terms energy: -821.101664 where: bonds (distance) C4'-P energy: -156.807 bonds (distance) P-C4' energy: -164.946 flat angles C4'-P-C4' energy: -174.811 flat angles P-C4'-P energy: -102.584 tors. eta vs tors. theta energy: -221.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2293.452510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.452510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.452510 (E_RNA) where: Base-Base interactions energy: -1540.772 where: short stacking energy: -664.805 Base-Backbone interact. energy: 1.773 local terms energy: -754.453664 where: bonds (distance) C4'-P energy: -148.885 bonds (distance) P-C4' energy: -135.422 flat angles C4'-P-C4' energy: -179.727 flat angles P-C4'-P energy: -117.182 tors. eta vs tors. theta energy: -173.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2018.918857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.918857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.918857 (E_RNA) where: Base-Base interactions energy: -1299.637 where: short stacking energy: -620.682 Base-Backbone interact. energy: -1.283 local terms energy: -717.999787 where: bonds (distance) C4'-P energy: -139.676 bonds (distance) P-C4' energy: -161.080 flat angles C4'-P-C4' energy: -165.758 flat angles P-C4'-P energy: -104.139 tors. eta vs tors. theta energy: -147.347 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: 4, replica: 2 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1763.831801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.831801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.831801 (E_RNA) where: Base-Base interactions energy: -1073.128 where: short stacking energy: -545.034 Base-Backbone interact. energy: 1.400 local terms energy: -692.104770 where: bonds (distance) C4'-P energy: -163.919 bonds (distance) P-C4' energy: -151.173 flat angles C4'-P-C4' energy: -151.134 flat angles P-C4'-P energy: -99.647 tors. eta vs tors. theta energy: -126.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1729.581133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.581133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.581133 (E_RNA) where: Base-Base interactions energy: -1080.071 where: short stacking energy: -504.188 Base-Backbone interact. energy: 5.312 local terms energy: -654.822758 where: bonds (distance) C4'-P energy: -161.287 bonds (distance) P-C4' energy: -142.748 flat angles C4'-P-C4' energy: -159.188 flat angles P-C4'-P energy: -92.537 tors. eta vs tors. theta energy: -99.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1555.559601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.559601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.559601 (E_RNA) where: Base-Base interactions energy: -985.235 where: short stacking energy: -502.826 Base-Backbone interact. energy: 2.563 local terms energy: -572.888102 where: bonds (distance) C4'-P energy: -135.486 bonds (distance) P-C4' energy: -110.323 flat angles C4'-P-C4' energy: -143.159 flat angles P-C4'-P energy: -87.825 tors. eta vs tors. theta energy: -96.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1450.818999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.818999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.818999 (E_RNA) where: Base-Base interactions energy: -865.634 where: short stacking energy: -405.616 Base-Backbone interact. energy: 3.885 local terms energy: -589.069355 where: bonds (distance) C4'-P energy: -135.129 bonds (distance) P-C4' energy: -147.769 flat angles C4'-P-C4' energy: -150.918 flat angles P-C4'-P energy: -90.230 tors. eta vs tors. theta energy: -65.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1107.040222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.040222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.040222 (E_RNA) where: Base-Base interactions energy: -582.931 where: short stacking energy: -321.625 Base-Backbone interact. energy: -3.409 local terms energy: -520.699905 where: bonds (distance) C4'-P energy: -128.482 bonds (distance) P-C4' energy: -134.564 flat angles C4'-P-C4' energy: -125.019 flat angles P-C4'-P energy: -76.933 tors. eta vs tors. theta energy: -55.701 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: 8 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -879.206935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.206935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.206935 (E_RNA) where: Base-Base interactions energy: -435.769 where: short stacking energy: -267.081 Base-Backbone interact. energy: 1.830 local terms energy: -445.267635 where: bonds (distance) C4'-P energy: -127.548 bonds (distance) P-C4' energy: -148.163 flat angles C4'-P-C4' energy: -118.866 flat angles P-C4'-P energy: -48.541 tors. eta vs tors. theta energy: -2.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -804.572370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.572370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.572370 (E_RNA) where: Base-Base interactions energy: -368.965 where: short stacking energy: -226.307 Base-Backbone interact. energy: 2.083 local terms energy: -437.690068 where: bonds (distance) C4'-P energy: -119.886 bonds (distance) P-C4' energy: -151.309 flat angles C4'-P-C4' energy: -122.162 flat angles P-C4'-P energy: -48.957 tors. eta vs tors. theta energy: 4.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2461.155878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.155878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.155878 (E_RNA) where: Base-Base interactions energy: -1638.927 where: short stacking energy: -695.021 Base-Backbone interact. energy: -4.619 local terms energy: -817.609827 where: bonds (distance) C4'-P energy: -167.466 bonds (distance) P-C4' energy: -167.105 flat angles C4'-P-C4' energy: -169.214 flat angles P-C4'-P energy: -115.477 tors. eta vs tors. theta energy: -198.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2333.328685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.328685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.328685 (E_RNA) where: Base-Base interactions energy: -1544.820 where: short stacking energy: -685.005 Base-Backbone interact. energy: 1.413 local terms energy: -789.921497 where: bonds (distance) C4'-P energy: -152.197 bonds (distance) P-C4' energy: -144.647 flat angles C4'-P-C4' energy: -180.344 flat angles P-C4'-P energy: -121.222 tors. eta vs tors. theta energy: -191.511 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: 4 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2069.438672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.438672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.438672 (E_RNA) where: Base-Base interactions energy: -1305.387 where: short stacking energy: -622.285 Base-Backbone interact. energy: 3.886 local terms energy: -767.936995 where: bonds (distance) C4'-P energy: -155.827 bonds (distance) P-C4' energy: -154.705 flat angles C4'-P-C4' energy: -182.019 flat angles P-C4'-P energy: -108.856 tors. eta vs tors. theta energy: -166.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1787.899566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.899566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.899566 (E_RNA) where: Base-Base interactions energy: -1119.274 where: short stacking energy: -576.592 Base-Backbone interact. energy: 0.382 local terms energy: -669.007333 where: bonds (distance) C4'-P energy: -128.567 bonds (distance) P-C4' energy: -153.682 flat angles C4'-P-C4' energy: -156.197 flat angles P-C4'-P energy: -96.551 tors. eta vs tors. theta energy: -134.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1811.179009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.179009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.179009 (E_RNA) where: Base-Base interactions energy: -1145.290 where: short stacking energy: -523.666 Base-Backbone interact. energy: -0.498 local terms energy: -665.391333 where: bonds (distance) C4'-P energy: -144.229 bonds (distance) P-C4' energy: -156.672 flat angles C4'-P-C4' energy: -155.043 flat angles P-C4'-P energy: -90.205 tors. eta vs tors. theta energy: -119.242 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: 5 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1518.364123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.364123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.364123 (E_RNA) where: Base-Base interactions energy: -927.339 where: short stacking energy: -431.272 Base-Backbone interact. energy: -5.322 local terms energy: -585.703530 where: bonds (distance) C4'-P energy: -144.440 bonds (distance) P-C4' energy: -138.250 flat angles C4'-P-C4' energy: -149.831 flat angles P-C4'-P energy: -76.417 tors. eta vs tors. theta energy: -76.765 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: 7, replica: 9 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1511.301722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.301722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.301722 (E_RNA) where: Base-Base interactions energy: -908.287 where: short stacking energy: -442.660 Base-Backbone interact. energy: 0.793 local terms energy: -603.808170 where: bonds (distance) C4'-P energy: -134.669 bonds (distance) P-C4' energy: -147.041 flat angles C4'-P-C4' energy: -139.099 flat angles P-C4'-P energy: -91.996 tors. eta vs tors. theta energy: -91.004 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: 1 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1095.561399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.561399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.561399 (E_RNA) where: Base-Base interactions energy: -593.191 where: short stacking energy: -337.210 Base-Backbone interact. energy: -2.750 local terms energy: -499.620306 where: bonds (distance) C4'-P energy: -117.070 bonds (distance) P-C4' energy: -143.631 flat angles C4'-P-C4' energy: -123.336 flat angles P-C4'-P energy: -83.159 tors. eta vs tors. theta energy: -32.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -842.333604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.333604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.333604 (E_RNA) where: Base-Base interactions energy: -375.848 where: short stacking energy: -216.399 Base-Backbone interact. energy: 3.197 local terms energy: -469.682690 where: bonds (distance) C4'-P energy: -111.807 bonds (distance) P-C4' energy: -147.396 flat angles C4'-P-C4' energy: -122.237 flat angles P-C4'-P energy: -82.849 tors. eta vs tors. theta energy: -5.394 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: 10, replica: 7 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -820.404489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.404489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.404489 (E_RNA) where: Base-Base interactions energy: -398.885 where: short stacking energy: -230.069 Base-Backbone interact. energy: 2.584 local terms energy: -424.104209 where: bonds (distance) C4'-P energy: -125.203 bonds (distance) P-C4' energy: -132.801 flat angles C4'-P-C4' energy: -108.292 flat angles P-C4'-P energy: -63.990 tors. eta vs tors. theta energy: 6.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2483.199473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.199473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.199473 (E_RNA) where: Base-Base interactions energy: -1634.839 where: short stacking energy: -733.528 Base-Backbone interact. energy: -1.960 local terms energy: -846.399739 where: bonds (distance) C4'-P energy: -166.401 bonds (distance) P-C4' energy: -179.656 flat angles C4'-P-C4' energy: -179.009 flat angles P-C4'-P energy: -110.998 tors. eta vs tors. theta energy: -210.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2359.662599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.662599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.662599 (E_RNA) where: Base-Base interactions energy: -1554.468 where: short stacking energy: -710.894 Base-Backbone interact. energy: -5.195 local terms energy: -799.999446 where: bonds (distance) C4'-P energy: -142.491 bonds (distance) P-C4' energy: -175.379 flat angles C4'-P-C4' energy: -177.739 flat angles P-C4'-P energy: -114.343 tors. eta vs tors. theta energy: -190.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2013.712595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.712595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.712595 (E_RNA) where: Base-Base interactions energy: -1305.913 where: short stacking energy: -590.451 Base-Backbone interact. energy: 0.533 local terms energy: -708.332364 where: bonds (distance) C4'-P energy: -154.795 bonds (distance) P-C4' energy: -160.847 flat angles C4'-P-C4' energy: -152.214 flat angles P-C4'-P energy: -100.068 tors. eta vs tors. theta energy: -140.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1861.948929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.948929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.948929 (E_RNA) where: Base-Base interactions energy: -1164.294 where: short stacking energy: -563.675 Base-Backbone interact. energy: -7.218 local terms energy: -690.437429 where: bonds (distance) C4'-P energy: -147.995 bonds (distance) P-C4' energy: -143.259 flat angles C4'-P-C4' energy: -157.997 flat angles P-C4'-P energy: -110.136 tors. eta vs tors. theta energy: -131.052 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: 2 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1697.370534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.370534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.370534 (E_RNA) where: Base-Base interactions energy: -1054.176 where: short stacking energy: -521.757 Base-Backbone interact. energy: 0.517 local terms energy: -643.711620 where: bonds (distance) C4'-P energy: -131.750 bonds (distance) P-C4' energy: -155.891 flat angles C4'-P-C4' energy: -141.854 flat angles P-C4'-P energy: -97.156 tors. eta vs tors. theta energy: -117.061 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: 6, replica: 9 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1577.055168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.055168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.055168 (E_RNA) where: Base-Base interactions energy: -946.395 where: short stacking energy: -478.850 Base-Backbone interact. energy: 2.046 local terms energy: -632.706024 where: bonds (distance) C4'-P energy: -123.625 bonds (distance) P-C4' energy: -152.680 flat angles C4'-P-C4' energy: -154.590 flat angles P-C4'-P energy: -106.531 tors. eta vs tors. theta energy: -95.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1455.308095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.308095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.308095 (E_RNA) where: Base-Base interactions energy: -888.964 where: short stacking energy: -425.018 Base-Backbone interact. energy: -3.897 local terms energy: -562.447053 where: bonds (distance) C4'-P energy: -131.359 bonds (distance) P-C4' energy: -152.522 flat angles C4'-P-C4' energy: -123.808 flat angles P-C4'-P energy: -89.212 tors. eta vs tors. theta energy: -65.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1046.739009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.739009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.739009 (E_RNA) where: Base-Base interactions energy: -544.444 where: short stacking energy: -319.108 Base-Backbone interact. energy: 0.264 local terms energy: -502.558957 where: bonds (distance) C4'-P energy: -132.402 bonds (distance) P-C4' energy: -127.141 flat angles C4'-P-C4' energy: -132.547 flat angles P-C4'-P energy: -72.777 tors. eta vs tors. theta energy: -37.692 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: 8 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -823.958640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.958640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.958640 (E_RNA) where: Base-Base interactions energy: -374.756 where: short stacking energy: -223.654 Base-Backbone interact. energy: 5.294 local terms energy: -454.496614 where: bonds (distance) C4'-P energy: -141.044 bonds (distance) P-C4' energy: -146.654 flat angles C4'-P-C4' energy: -120.363 flat angles P-C4'-P energy: -54.411 tors. eta vs tors. theta energy: 7.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -793.167263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.167263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.167263 (E_RNA) where: Base-Base interactions energy: -361.624 where: short stacking energy: -222.506 Base-Backbone interact. energy: -4.105 local terms energy: -427.438166 where: bonds (distance) C4'-P energy: -116.090 bonds (distance) P-C4' energy: -140.309 flat angles C4'-P-C4' energy: -109.390 flat angles P-C4'-P energy: -68.721 tors. eta vs tors. theta energy: 7.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2452.812044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.812044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.812044 (E_RNA) where: Base-Base interactions energy: -1621.014 where: short stacking energy: -724.942 Base-Backbone interact. energy: -1.002 local terms energy: -830.796046 where: bonds (distance) C4'-P energy: -153.852 bonds (distance) P-C4' energy: -163.904 flat angles C4'-P-C4' energy: -186.842 flat angles P-C4'-P energy: -125.945 tors. eta vs tors. theta energy: -200.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2305.098666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.098666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.098666 (E_RNA) where: Base-Base interactions energy: -1535.652 where: short stacking energy: -707.446 Base-Backbone interact. energy: 1.210 local terms energy: -770.656973 where: bonds (distance) C4'-P energy: -168.767 bonds (distance) P-C4' energy: -152.195 flat angles C4'-P-C4' energy: -171.460 flat angles P-C4'-P energy: -98.724 tors. eta vs tors. theta energy: -179.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1988.290030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.290030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.290030 (E_RNA) where: Base-Base interactions energy: -1289.121 where: short stacking energy: -602.781 Base-Backbone interact. energy: -2.970 local terms energy: -696.198462 where: bonds (distance) C4'-P energy: -154.063 bonds (distance) P-C4' energy: -173.416 flat angles C4'-P-C4' energy: -139.530 flat angles P-C4'-P energy: -93.734 tors. eta vs tors. theta energy: -135.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1945.635789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.635789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.635789 (E_RNA) where: Base-Base interactions energy: -1236.923 where: short stacking energy: -590.657 Base-Backbone interact. energy: -4.594 local terms energy: -704.118868 where: bonds (distance) C4'-P energy: -155.088 bonds (distance) P-C4' energy: -148.814 flat angles C4'-P-C4' energy: -161.940 flat angles P-C4'-P energy: -109.943 tors. eta vs tors. theta energy: -128.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1639.229011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.229011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.229011 (E_RNA) where: Base-Base interactions energy: -989.105 where: short stacking energy: -450.205 Base-Backbone interact. energy: -0.450 local terms energy: -649.674395 where: bonds (distance) C4'-P energy: -134.859 bonds (distance) P-C4' energy: -153.887 flat angles C4'-P-C4' energy: -158.071 flat angles P-C4'-P energy: -102.662 tors. eta vs tors. theta energy: -100.196 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: 9 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1600.285081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.285081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.285081 (E_RNA) where: Base-Base interactions energy: -967.045 where: short stacking energy: -454.218 Base-Backbone interact. energy: 1.034 local terms energy: -634.274297 where: bonds (distance) C4'-P energy: -127.154 bonds (distance) P-C4' energy: -152.984 flat angles C4'-P-C4' energy: -156.330 flat angles P-C4'-P energy: -97.135 tors. eta vs tors. theta energy: -100.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1434.770395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.770395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.770395 (E_RNA) where: Base-Base interactions energy: -842.170 where: short stacking energy: -393.657 Base-Backbone interact. energy: 3.603 local terms energy: -596.203311 where: bonds (distance) C4'-P energy: -140.655 bonds (distance) P-C4' energy: -148.650 flat angles C4'-P-C4' energy: -143.345 flat angles P-C4'-P energy: -86.281 tors. eta vs tors. theta energy: -77.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1048.140756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.140756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.140756 (E_RNA) where: Base-Base interactions energy: -543.089 where: short stacking energy: -321.298 Base-Backbone interact. energy: 1.070 local terms energy: -506.122115 where: bonds (distance) C4'-P energy: -106.349 bonds (distance) P-C4' energy: -129.607 flat angles C4'-P-C4' energy: -135.732 flat angles P-C4'-P energy: -103.447 tors. eta vs tors. theta energy: -30.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -815.790961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.790961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.790961 (E_RNA) where: Base-Base interactions energy: -354.974 where: short stacking energy: -220.916 Base-Backbone interact. energy: -2.716 local terms energy: -458.100925 where: bonds (distance) C4'-P energy: -109.718 bonds (distance) P-C4' energy: -149.028 flat angles C4'-P-C4' energy: -131.847 flat angles P-C4'-P energy: -72.995 tors. eta vs tors. theta energy: 5.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -840.254854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.254854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.254854 (E_RNA) where: Base-Base interactions energy: -415.854 where: short stacking energy: -208.755 Base-Backbone interact. energy: 5.935 local terms energy: -430.335749 where: bonds (distance) C4'-P energy: -127.318 bonds (distance) P-C4' energy: -138.637 flat angles C4'-P-C4' energy: -90.831 flat angles P-C4'-P energy: -76.821 tors. eta vs tors. theta energy: 3.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2477.413873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.413873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.413873 (E_RNA) where: Base-Base interactions energy: -1638.565 where: short stacking energy: -755.546 Base-Backbone interact. energy: -2.605 local terms energy: -836.243461 where: bonds (distance) C4'-P energy: -172.841 bonds (distance) P-C4' energy: -174.693 flat angles C4'-P-C4' energy: -165.665 flat angles P-C4'-P energy: -119.176 tors. eta vs tors. theta energy: -203.869 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: 2, replica: 6 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2313.192195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.192195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.192195 (E_RNA) where: Base-Base interactions energy: -1533.073 where: short stacking energy: -701.770 Base-Backbone interact. energy: 0.136 local terms energy: -780.255584 where: bonds (distance) C4'-P energy: -157.736 bonds (distance) P-C4' energy: -160.840 flat angles C4'-P-C4' energy: -181.803 flat angles P-C4'-P energy: -103.162 tors. eta vs tors. theta energy: -176.715 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: 4 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2059.928458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.928458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.928458 (E_RNA) where: Base-Base interactions energy: -1314.553 where: short stacking energy: -643.864 Base-Backbone interact. energy: -4.228 local terms energy: -741.147159 where: bonds (distance) C4'-P energy: -146.535 bonds (distance) P-C4' energy: -159.824 flat angles C4'-P-C4' energy: -170.072 flat angles P-C4'-P energy: -115.239 tors. eta vs tors. theta energy: -149.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1884.143942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.143942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.143942 (E_RNA) where: Base-Base interactions energy: -1206.339 where: short stacking energy: -590.924 Base-Backbone interact. energy: -1.445 local terms energy: -676.360309 where: bonds (distance) C4'-P energy: -136.586 bonds (distance) P-C4' energy: -134.577 flat angles C4'-P-C4' energy: -168.459 flat angles P-C4'-P energy: -109.130 tors. eta vs tors. theta energy: -127.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1628.760247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.760247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.760247 (E_RNA) where: Base-Base interactions energy: -1032.845 where: short stacking energy: -481.482 Base-Backbone interact. energy: -3.490 local terms energy: -592.425010 where: bonds (distance) C4'-P energy: -123.676 bonds (distance) P-C4' energy: -148.504 flat angles C4'-P-C4' energy: -143.464 flat angles P-C4'-P energy: -88.547 tors. eta vs tors. theta energy: -88.234 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: 9 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1600.615688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.615688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.615688 (E_RNA) where: Base-Base interactions energy: -970.892 where: short stacking energy: -477.031 Base-Backbone interact. energy: -2.870 local terms energy: -626.853652 where: bonds (distance) C4'-P energy: -158.803 bonds (distance) P-C4' energy: -145.275 flat angles C4'-P-C4' energy: -138.649 flat angles P-C4'-P energy: -96.090 tors. eta vs tors. theta energy: -88.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1376.857353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.857353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.857353 (E_RNA) where: Base-Base interactions energy: -821.183 where: short stacking energy: -403.514 Base-Backbone interact. energy: -0.971 local terms energy: -554.703706 where: bonds (distance) C4'-P energy: -126.241 bonds (distance) P-C4' energy: -156.395 flat angles C4'-P-C4' energy: -137.682 flat angles P-C4'-P energy: -81.744 tors. eta vs tors. theta energy: -52.642 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: 59 Temperature: 1.250000 Total energy: -1068.069166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.069166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.069166 (E_RNA) where: Base-Base interactions energy: -549.628 where: short stacking energy: -298.661 Base-Backbone interact. energy: -1.453 local terms energy: -516.987451 where: bonds (distance) C4'-P energy: -133.871 bonds (distance) P-C4' energy: -151.946 flat angles C4'-P-C4' energy: -117.829 flat angles P-C4'-P energy: -77.472 tors. eta vs tors. theta energy: -35.871 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: 9, replica: 7 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -836.741194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.741194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.741194 (E_RNA) where: Base-Base interactions energy: -411.391 where: short stacking energy: -240.197 Base-Backbone interact. energy: -0.804 local terms energy: -424.546210 where: bonds (distance) C4'-P energy: -118.662 bonds (distance) P-C4' energy: -150.826 flat angles C4'-P-C4' energy: -103.217 flat angles P-C4'-P energy: -67.819 tors. eta vs tors. theta energy: 15.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -814.996546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.996546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.996546 (E_RNA) where: Base-Base interactions energy: -400.396 where: short stacking energy: -261.112 Base-Backbone interact. energy: 4.451 local terms energy: -419.050957 where: bonds (distance) C4'-P energy: -111.427 bonds (distance) P-C4' energy: -135.564 flat angles C4'-P-C4' energy: -121.404 flat angles P-C4'-P energy: -49.851 tors. eta vs tors. theta energy: -0.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2442.461629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.461629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.461629 (E_RNA) where: Base-Base interactions energy: -1621.716 where: short stacking energy: -769.492 Base-Backbone interact. energy: -0.422 local terms energy: -820.324277 where: bonds (distance) C4'-P energy: -155.086 bonds (distance) P-C4' energy: -158.117 flat angles C4'-P-C4' energy: -180.724 flat angles P-C4'-P energy: -124.033 tors. eta vs tors. theta energy: -202.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2322.024275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.024275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.024275 (E_RNA) where: Base-Base interactions energy: -1557.860 where: short stacking energy: -673.040 Base-Backbone interact. energy: -3.918 local terms energy: -760.246413 where: bonds (distance) C4'-P energy: -159.081 bonds (distance) P-C4' energy: -150.955 flat angles C4'-P-C4' energy: -167.371 flat angles P-C4'-P energy: -101.494 tors. eta vs tors. theta energy: -181.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2045.096340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.096340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.096340 (E_RNA) where: Base-Base interactions energy: -1287.631 where: short stacking energy: -642.884 Base-Backbone interact. energy: -0.889 local terms energy: -756.575844 where: bonds (distance) C4'-P energy: -154.267 bonds (distance) P-C4' energy: -170.308 flat angles C4'-P-C4' energy: -162.240 flat angles P-C4'-P energy: -111.226 tors. eta vs tors. theta energy: -158.534 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: 10 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1927.878965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.878965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.878965 (E_RNA) where: Base-Base interactions energy: -1191.844 where: short stacking energy: -576.174 Base-Backbone interact. energy: 0.446 local terms energy: -736.481066 where: bonds (distance) C4'-P energy: -145.065 bonds (distance) P-C4' energy: -173.999 flat angles C4'-P-C4' energy: -172.614 flat angles P-C4'-P energy: -111.154 tors. eta vs tors. theta energy: -133.649 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: 2 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1678.710856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.710856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.710856 (E_RNA) where: Base-Base interactions energy: -1022.520 where: short stacking energy: -480.685 Base-Backbone interact. energy: -1.374 local terms energy: -654.816801 where: bonds (distance) C4'-P energy: -142.572 bonds (distance) P-C4' energy: -149.666 flat angles C4'-P-C4' energy: -180.758 flat angles P-C4'-P energy: -85.287 tors. eta vs tors. theta energy: -96.533 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: 6, replica: 9 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1576.055231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.055231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.055231 (E_RNA) where: Base-Base interactions energy: -958.257 where: short stacking energy: -483.959 Base-Backbone interact. energy: -2.771 local terms energy: -615.027893 where: bonds (distance) C4'-P energy: -134.751 bonds (distance) P-C4' energy: -138.937 flat angles C4'-P-C4' energy: -156.809 flat angles P-C4'-P energy: -74.388 tors. eta vs tors. theta energy: -110.143 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: 7, replica: 5 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1368.210159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.210159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.210159 (E_RNA) where: Base-Base interactions energy: -815.050 where: short stacking energy: -407.927 Base-Backbone interact. energy: 4.901 local terms energy: -558.061743 where: bonds (distance) C4'-P energy: -136.451 bonds (distance) P-C4' energy: -149.382 flat angles C4'-P-C4' energy: -122.090 flat angles P-C4'-P energy: -85.341 tors. eta vs tors. theta energy: -64.797 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: 1 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1103.045165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.045165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.045165 (E_RNA) where: Base-Base interactions energy: -600.716 where: short stacking energy: -360.524 Base-Backbone interact. energy: -1.077 local terms energy: -501.252297 where: bonds (distance) C4'-P energy: -120.030 bonds (distance) P-C4' energy: -139.770 flat angles C4'-P-C4' energy: -138.188 flat angles P-C4'-P energy: -66.318 tors. eta vs tors. theta energy: -36.947 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: 9, replica: 7 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -848.096145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.096145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.096145 (E_RNA) where: Base-Base interactions energy: -436.260 where: short stacking energy: -242.136 Base-Backbone interact. energy: 3.595 local terms energy: -415.430992 where: bonds (distance) C4'-P energy: -144.488 bonds (distance) P-C4' energy: -127.931 flat angles C4'-P-C4' energy: -113.311 flat angles P-C4'-P energy: -39.559 tors. eta vs tors. theta energy: 9.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -788.732534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.732534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.732534 (E_RNA) where: Base-Base interactions energy: -392.478 where: short stacking energy: -206.545 Base-Backbone interact. energy: 0.826 local terms energy: -397.080948 where: bonds (distance) C4'-P energy: -135.429 bonds (distance) P-C4' energy: -124.434 flat angles C4'-P-C4' energy: -110.153 flat angles P-C4'-P energy: -51.820 tors. eta vs tors. theta energy: 24.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2451.071481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.071481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.071481 (E_RNA) where: Base-Base interactions energy: -1631.980 where: short stacking energy: -751.484 Base-Backbone interact. energy: -1.973 local terms energy: -817.118155 where: bonds (distance) C4'-P energy: -156.941 bonds (distance) P-C4' energy: -166.208 flat angles C4'-P-C4' energy: -177.471 flat angles P-C4'-P energy: -107.863 tors. eta vs tors. theta energy: -208.635 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: 6 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2327.348524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.348524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.348524 (E_RNA) where: Base-Base interactions energy: -1541.362 where: short stacking energy: -684.296 Base-Backbone interact. energy: -1.471 local terms energy: -784.515749 where: bonds (distance) C4'-P energy: -144.584 bonds (distance) P-C4' energy: -173.061 flat angles C4'-P-C4' energy: -171.597 flat angles P-C4'-P energy: -120.192 tors. eta vs tors. theta energy: -175.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2067.159049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.159049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.159049 (E_RNA) where: Base-Base interactions energy: -1321.073 where: short stacking energy: -640.927 Base-Backbone interact. energy: -3.226 local terms energy: -742.860275 where: bonds (distance) C4'-P energy: -145.398 bonds (distance) P-C4' energy: -166.307 flat angles C4'-P-C4' energy: -162.698 flat angles P-C4'-P energy: -109.734 tors. eta vs tors. theta energy: -158.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1891.757088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.757088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.757088 (E_RNA) where: Base-Base interactions energy: -1207.733 where: short stacking energy: -563.296 Base-Backbone interact. energy: -3.167 local terms energy: -680.857853 where: bonds (distance) C4'-P energy: -138.100 bonds (distance) P-C4' energy: -170.312 flat angles C4'-P-C4' energy: -132.885 flat angles P-C4'-P energy: -100.395 tors. eta vs tors. theta energy: -139.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1686.664067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.664067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.664067 (E_RNA) where: Base-Base interactions energy: -1022.972 where: short stacking energy: -484.459 Base-Backbone interact. energy: 2.798 local terms energy: -666.489372 where: bonds (distance) C4'-P energy: -149.742 bonds (distance) P-C4' energy: -156.510 flat angles C4'-P-C4' energy: -155.750 flat angles P-C4'-P energy: -110.144 tors. eta vs tors. theta energy: -94.344 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: 6, replica: 9 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1619.602462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.602462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.602462 (E_RNA) where: Base-Base interactions energy: -1001.289 where: short stacking energy: -481.885 Base-Backbone interact. energy: 0.969 local terms energy: -619.283072 where: bonds (distance) C4'-P energy: -138.697 bonds (distance) P-C4' energy: -146.855 flat angles C4'-P-C4' energy: -136.984 flat angles P-C4'-P energy: -95.419 tors. eta vs tors. theta energy: -101.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1339.809939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.809939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.809939 (E_RNA) where: Base-Base interactions energy: -783.230 where: short stacking energy: -384.543 Base-Backbone interact. energy: 0.620 local terms energy: -557.199854 where: bonds (distance) C4'-P energy: -139.105 bonds (distance) P-C4' energy: -135.166 flat angles C4'-P-C4' energy: -161.808 flat angles P-C4'-P energy: -73.537 tors. eta vs tors. theta energy: -47.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1089.421242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.421242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.421242 (E_RNA) where: Base-Base interactions energy: -591.994 where: short stacking energy: -327.876 Base-Backbone interact. energy: 2.026 local terms energy: -499.453195 where: bonds (distance) C4'-P energy: -136.505 bonds (distance) P-C4' energy: -156.419 flat angles C4'-P-C4' energy: -113.081 flat angles P-C4'-P energy: -64.256 tors. eta vs tors. theta energy: -29.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -895.121798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.121798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.121798 (E_RNA) where: Base-Base interactions energy: -415.939 where: short stacking energy: -234.435 Base-Backbone interact. energy: -3.691 local terms energy: -475.491880 where: bonds (distance) C4'-P energy: -129.270 bonds (distance) P-C4' energy: -127.880 flat angles C4'-P-C4' energy: -124.762 flat angles P-C4'-P energy: -74.701 tors. eta vs tors. theta energy: -18.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -756.507716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.507716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.507716 (E_RNA) where: Base-Base interactions energy: -350.008 where: short stacking energy: -254.787 Base-Backbone interact. energy: -0.512 local terms energy: -405.987158 where: bonds (distance) C4'-P energy: -132.038 bonds (distance) P-C4' energy: -122.718 flat angles C4'-P-C4' energy: -104.656 flat angles P-C4'-P energy: -57.976 tors. eta vs tors. theta energy: 11.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2471.550314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.550314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.550314 (E_RNA) where: Base-Base interactions energy: -1632.479 where: short stacking energy: -753.086 Base-Backbone interact. energy: 1.034 local terms energy: -840.105630 where: bonds (distance) C4'-P energy: -167.635 bonds (distance) P-C4' energy: -148.913 flat angles C4'-P-C4' energy: -184.824 flat angles P-C4'-P energy: -125.096 tors. eta vs tors. theta energy: -213.638 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: 6 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2290.674156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.674156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.674156 (E_RNA) where: Base-Base interactions energy: -1502.339 where: short stacking energy: -692.952 Base-Backbone interact. energy: -4.339 local terms energy: -783.996164 where: bonds (distance) C4'-P energy: -146.382 bonds (distance) P-C4' energy: -169.036 flat angles C4'-P-C4' energy: -167.717 flat angles P-C4'-P energy: -121.579 tors. eta vs tors. theta energy: -179.282 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: 4 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2051.770787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.770787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.770787 (E_RNA) where: Base-Base interactions energy: -1278.314 where: short stacking energy: -632.547 Base-Backbone interact. energy: -0.182 local terms energy: -773.274403 where: bonds (distance) C4'-P energy: -146.475 bonds (distance) P-C4' energy: -168.108 flat angles C4'-P-C4' energy: -182.344 flat angles P-C4'-P energy: -109.727 tors. eta vs tors. theta energy: -166.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1864.502832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.502832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.502832 (E_RNA) where: Base-Base interactions energy: -1145.090 where: short stacking energy: -548.558 Base-Backbone interact. energy: -3.180 local terms energy: -716.232471 where: bonds (distance) C4'-P energy: -162.102 bonds (distance) P-C4' energy: -146.381 flat angles C4'-P-C4' energy: -164.851 flat angles P-C4'-P energy: -107.041 tors. eta vs tors. theta energy: -135.857 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: 5, replica: 2 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1703.303193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.303193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.303193 (E_RNA) where: Base-Base interactions energy: -1045.923 where: short stacking energy: -516.086 Base-Backbone interact. energy: 1.478 local terms energy: -658.857674 where: bonds (distance) C4'-P energy: -131.883 bonds (distance) P-C4' energy: -157.816 flat angles C4'-P-C4' energy: -153.381 flat angles P-C4'-P energy: -105.143 tors. eta vs tors. theta energy: -110.635 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: 9 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1595.725625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.725625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.725625 (E_RNA) where: Base-Base interactions energy: -985.446 where: short stacking energy: -442.118 Base-Backbone interact. energy: -2.091 local terms energy: -608.188632 where: bonds (distance) C4'-P energy: -147.503 bonds (distance) P-C4' energy: -138.330 flat angles C4'-P-C4' energy: -142.104 flat angles P-C4'-P energy: -93.155 tors. eta vs tors. theta energy: -87.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1353.251201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.251201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.251201 (E_RNA) where: Base-Base interactions energy: -790.907 where: short stacking energy: -404.169 Base-Backbone interact. energy: 2.633 local terms energy: -564.976880 where: bonds (distance) C4'-P energy: -141.574 bonds (distance) P-C4' energy: -152.832 flat angles C4'-P-C4' energy: -142.248 flat angles P-C4'-P energy: -82.174 tors. eta vs tors. theta energy: -46.150 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: 8, replica: 1 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1100.481324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.481324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.481324 (E_RNA) where: Base-Base interactions energy: -578.288 where: short stacking energy: -276.270 Base-Backbone interact. energy: -1.184 local terms energy: -521.008455 where: bonds (distance) C4'-P energy: -145.768 bonds (distance) P-C4' energy: -146.429 flat angles C4'-P-C4' energy: -133.699 flat angles P-C4'-P energy: -70.940 tors. eta vs tors. theta energy: -24.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -898.806008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.806008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.806008 (E_RNA) where: Base-Base interactions energy: -456.013 where: short stacking energy: -253.986 Base-Backbone interact. energy: -1.904 local terms energy: -440.888912 where: bonds (distance) C4'-P energy: -131.047 bonds (distance) P-C4' energy: -133.632 flat angles C4'-P-C4' energy: -108.405 flat angles P-C4'-P energy: -71.308 tors. eta vs tors. theta energy: 3.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -714.472440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.472440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.472440 (E_RNA) where: Base-Base interactions energy: -288.798 where: short stacking energy: -184.727 Base-Backbone interact. energy: 2.466 local terms energy: -428.140411 where: bonds (distance) C4'-P energy: -134.635 bonds (distance) P-C4' energy: -130.997 flat angles C4'-P-C4' energy: -117.281 flat angles P-C4'-P energy: -67.663 tors. eta vs tors. theta energy: 22.437 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: 3 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2493.951170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.951170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.951170 (E_RNA) where: Base-Base interactions energy: -1655.588 where: short stacking energy: -763.882 Base-Backbone interact. energy: 0.247 local terms energy: -838.609279 where: bonds (distance) C4'-P energy: -151.444 bonds (distance) P-C4' energy: -172.461 flat angles C4'-P-C4' energy: -192.398 flat angles P-C4'-P energy: -122.601 tors. eta vs tors. theta energy: -199.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2297.447124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.447124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.447124 (E_RNA) where: Base-Base interactions energy: -1532.841 where: short stacking energy: -665.453 Base-Backbone interact. energy: -0.505 local terms energy: -764.101108 where: bonds (distance) C4'-P energy: -150.265 bonds (distance) P-C4' energy: -158.202 flat angles C4'-P-C4' energy: -166.519 flat angles P-C4'-P energy: -109.740 tors. eta vs tors. theta energy: -179.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2066.520640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.520640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.520640 (E_RNA) where: Base-Base interactions energy: -1283.509 where: short stacking energy: -624.930 Base-Backbone interact. energy: -3.951 local terms energy: -779.061045 where: bonds (distance) C4'-P energy: -148.859 bonds (distance) P-C4' energy: -160.950 flat angles C4'-P-C4' energy: -178.996 flat angles P-C4'-P energy: -124.870 tors. eta vs tors. theta energy: -165.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1923.512246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.512246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.512246 (E_RNA) where: Base-Base interactions energy: -1221.467 where: short stacking energy: -590.106 Base-Backbone interact. energy: 0.320 local terms energy: -702.365280 where: bonds (distance) C4'-P energy: -153.361 bonds (distance) P-C4' energy: -141.232 flat angles C4'-P-C4' energy: -159.412 flat angles P-C4'-P energy: -86.369 tors. eta vs tors. theta energy: -161.992 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: 5, replica: 2 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1709.385960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.385960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.385960 (E_RNA) where: Base-Base interactions energy: -1055.622 where: short stacking energy: -514.939 Base-Backbone interact. energy: -1.043 local terms energy: -652.720878 where: bonds (distance) C4'-P energy: -131.346 bonds (distance) P-C4' energy: -154.679 flat angles C4'-P-C4' energy: -156.911 flat angles P-C4'-P energy: -103.631 tors. eta vs tors. theta energy: -106.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1571.321942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.321942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.321942 (E_RNA) where: Base-Base interactions energy: -987.435 where: short stacking energy: -459.932 Base-Backbone interact. energy: 5.531 local terms energy: -589.418183 where: bonds (distance) C4'-P energy: -135.623 bonds (distance) P-C4' energy: -131.425 flat angles C4'-P-C4' energy: -155.324 flat angles P-C4'-P energy: -83.336 tors. eta vs tors. theta energy: -83.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1329.726872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.726872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.726872 (E_RNA) where: Base-Base interactions energy: -793.052 where: short stacking energy: -354.228 Base-Backbone interact. energy: 0.354 local terms energy: -537.027978 where: bonds (distance) C4'-P energy: -132.990 bonds (distance) P-C4' energy: -139.286 flat angles C4'-P-C4' energy: -142.252 flat angles P-C4'-P energy: -80.727 tors. eta vs tors. theta energy: -41.773 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: 8, replica: 1 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1207.724202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.724202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.724202 (E_RNA) where: Base-Base interactions energy: -681.422 where: short stacking energy: -382.885 Base-Backbone interact. energy: -1.160 local terms energy: -525.142104 where: bonds (distance) C4'-P energy: -138.467 bonds (distance) P-C4' energy: -131.015 flat angles C4'-P-C4' energy: -138.923 flat angles P-C4'-P energy: -75.671 tors. eta vs tors. theta energy: -41.067 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: 7 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -907.874409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.874409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.874409 (E_RNA) where: Base-Base interactions energy: -461.568 where: short stacking energy: -262.520 Base-Backbone interact. energy: 0.870 local terms energy: -447.176532 where: bonds (distance) C4'-P energy: -142.513 bonds (distance) P-C4' energy: -115.170 flat angles C4'-P-C4' energy: -113.602 flat angles P-C4'-P energy: -73.177 tors. eta vs tors. theta energy: -2.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -664.456236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.456236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.456236 (E_RNA) where: Base-Base interactions energy: -302.797 where: short stacking energy: -221.934 Base-Backbone interact. energy: 4.478 local terms energy: -366.137195 where: bonds (distance) C4'-P energy: -131.348 bonds (distance) P-C4' energy: -112.424 flat angles C4'-P-C4' energy: -95.935 flat angles P-C4'-P energy: -51.728 tors. eta vs tors. theta energy: 25.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2523.172013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.172013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.172013 (E_RNA) where: Base-Base interactions energy: -1684.086 where: short stacking energy: -755.865 Base-Backbone interact. energy: -1.844 local terms energy: -837.242457 where: bonds (distance) C4'-P energy: -154.850 bonds (distance) P-C4' energy: -173.611 flat angles C4'-P-C4' energy: -184.842 flat angles P-C4'-P energy: -114.830 tors. eta vs tors. theta energy: -209.109 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: 64 Temperature: 0.950000 Total energy: -2335.836798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.836798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.836798 (E_RNA) where: Base-Base interactions energy: -1570.733 where: short stacking energy: -697.486 Base-Backbone interact. energy: -2.645 local terms energy: -762.459077 where: bonds (distance) C4'-P energy: -153.343 bonds (distance) P-C4' energy: -148.330 flat angles C4'-P-C4' energy: -160.289 flat angles P-C4'-P energy: -121.116 tors. eta vs tors. theta energy: -179.381 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: 10 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1973.004003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.004003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.004003 (E_RNA) where: Base-Base interactions energy: -1265.629 where: short stacking energy: -619.696 Base-Backbone interact. energy: -1.368 local terms energy: -706.006206 where: bonds (distance) C4'-P energy: -153.063 bonds (distance) P-C4' energy: -142.667 flat angles C4'-P-C4' energy: -165.838 flat angles P-C4'-P energy: -121.231 tors. eta vs tors. theta energy: -123.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1917.480261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.480261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.480261 (E_RNA) where: Base-Base interactions energy: -1207.703 where: short stacking energy: -578.109 Base-Backbone interact. energy: -1.981 local terms energy: -707.796176 where: bonds (distance) C4'-P energy: -155.615 bonds (distance) P-C4' energy: -146.263 flat angles C4'-P-C4' energy: -159.596 flat angles P-C4'-P energy: -99.089 tors. eta vs tors. theta energy: -147.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1741.631786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.631786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.631786 (E_RNA) where: Base-Base interactions energy: -1095.350 where: short stacking energy: -541.634 Base-Backbone interact. energy: -1.996 local terms energy: -644.285635 where: bonds (distance) C4'-P energy: -125.455 bonds (distance) P-C4' energy: -158.202 flat angles C4'-P-C4' energy: -140.505 flat angles P-C4'-P energy: -100.938 tors. eta vs tors. theta energy: -119.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1548.045370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.045370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.045370 (E_RNA) where: Base-Base interactions energy: -958.735 where: short stacking energy: -437.621 Base-Backbone interact. energy: -2.564 local terms energy: -586.746832 where: bonds (distance) C4'-P energy: -131.907 bonds (distance) P-C4' energy: -127.639 flat angles C4'-P-C4' energy: -156.807 flat angles P-C4'-P energy: -80.263 tors. eta vs tors. theta energy: -90.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1350.095479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.095479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.095479 (E_RNA) where: Base-Base interactions energy: -793.549 where: short stacking energy: -369.507 Base-Backbone interact. energy: -3.338 local terms energy: -553.208529 where: bonds (distance) C4'-P energy: -135.518 bonds (distance) P-C4' energy: -146.340 flat angles C4'-P-C4' energy: -135.946 flat angles P-C4'-P energy: -66.213 tors. eta vs tors. theta energy: -69.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1206.901709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.901709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.901709 (E_RNA) where: Base-Base interactions energy: -659.476 where: short stacking energy: -336.371 Base-Backbone interact. energy: 0.730 local terms energy: -548.156133 where: bonds (distance) C4'-P energy: -134.173 bonds (distance) P-C4' energy: -150.009 flat angles C4'-P-C4' energy: -134.416 flat angles P-C4'-P energy: -80.888 tors. eta vs tors. theta energy: -48.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -921.584766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.584766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.584766 (E_RNA) where: Base-Base interactions energy: -454.803 where: short stacking energy: -288.116 Base-Backbone interact. energy: 7.169 local terms energy: -473.951309 where: bonds (distance) C4'-P energy: -129.288 bonds (distance) P-C4' energy: -101.798 flat angles C4'-P-C4' energy: -147.534 flat angles P-C4'-P energy: -77.344 tors. eta vs tors. theta energy: -17.988 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: 10, replica: 8 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -705.179379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.179379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.179379 (E_RNA) where: Base-Base interactions energy: -273.395 where: short stacking energy: -197.182 Base-Backbone interact. energy: 3.228 local terms energy: -435.011861 where: bonds (distance) C4'-P energy: -161.058 bonds (distance) P-C4' energy: -139.126 flat angles C4'-P-C4' energy: -100.053 flat angles P-C4'-P energy: -59.201 tors. eta vs tors. theta energy: 24.426 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: 1, replica: 3 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2515.916787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.916787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.916787 (E_RNA) where: Base-Base interactions energy: -1657.228 where: short stacking energy: -748.989 Base-Backbone interact. energy: -3.934 local terms energy: -854.754972 where: bonds (distance) C4'-P energy: -189.882 bonds (distance) P-C4' energy: -172.255 flat angles C4'-P-C4' energy: -187.841 flat angles P-C4'-P energy: -106.099 tors. eta vs tors. theta energy: -198.679 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: 6 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2315.449125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.449125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.449125 (E_RNA) where: Base-Base interactions energy: -1530.363 where: short stacking energy: -672.924 Base-Backbone interact. energy: -3.331 local terms energy: -781.755035 where: bonds (distance) C4'-P energy: -152.026 bonds (distance) P-C4' energy: -167.276 flat angles C4'-P-C4' energy: -168.539 flat angles P-C4'-P energy: -104.510 tors. eta vs tors. theta energy: -189.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2035.637761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.637761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.637761 (E_RNA) where: Base-Base interactions energy: -1295.121 where: short stacking energy: -602.739 Base-Backbone interact. energy: -4.876 local terms energy: -735.640789 where: bonds (distance) C4'-P energy: -151.759 bonds (distance) P-C4' energy: -159.057 flat angles C4'-P-C4' energy: -161.453 flat angles P-C4'-P energy: -99.854 tors. eta vs tors. theta energy: -163.518 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: 4, replica: 4 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2010.078781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.078781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.078781 (E_RNA) where: Base-Base interactions energy: -1251.651 where: short stacking energy: -613.032 Base-Backbone interact. energy: -0.121 local terms energy: -758.306815 where: bonds (distance) C4'-P energy: -149.839 bonds (distance) P-C4' energy: -165.991 flat angles C4'-P-C4' energy: -169.279 flat angles P-C4'-P energy: -120.560 tors. eta vs tors. theta energy: -152.639 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: 2 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1712.708387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.708387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.708387 (E_RNA) where: Base-Base interactions energy: -1106.291 where: short stacking energy: -487.706 Base-Backbone interact. energy: -3.577 local terms energy: -602.840212 where: bonds (distance) C4'-P energy: -139.160 bonds (distance) P-C4' energy: -132.278 flat angles C4'-P-C4' energy: -148.065 flat angles P-C4'-P energy: -97.414 tors. eta vs tors. theta energy: -85.924 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: 9 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1547.605631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.605631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.605631 (E_RNA) where: Base-Base interactions energy: -944.232 where: short stacking energy: -454.414 Base-Backbone interact. energy: 1.195 local terms energy: -604.568629 where: bonds (distance) C4'-P energy: -134.062 bonds (distance) P-C4' energy: -148.604 flat angles C4'-P-C4' energy: -147.878 flat angles P-C4'-P energy: -87.970 tors. eta vs tors. theta energy: -86.054 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: 7, replica: 5 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1432.493099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.493099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.493099 (E_RNA) where: Base-Base interactions energy: -872.518 where: short stacking energy: -408.431 Base-Backbone interact. energy: -1.919 local terms energy: -558.056848 where: bonds (distance) C4'-P energy: -144.214 bonds (distance) P-C4' energy: -148.129 flat angles C4'-P-C4' energy: -130.652 flat angles P-C4'-P energy: -71.205 tors. eta vs tors. theta energy: -63.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1118.558625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.558625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.558625 (E_RNA) where: Base-Base interactions energy: -598.517 where: short stacking energy: -314.558 Base-Backbone interact. energy: -1.483 local terms energy: -518.559292 where: bonds (distance) C4'-P energy: -135.691 bonds (distance) P-C4' energy: -142.982 flat angles C4'-P-C4' energy: -144.643 flat angles P-C4'-P energy: -83.111 tors. eta vs tors. theta energy: -12.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -961.723662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.723662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.723662 (E_RNA) where: Base-Base interactions energy: -526.029 where: short stacking energy: -316.341 Base-Backbone interact. energy: 3.589 local terms energy: -439.283002 where: bonds (distance) C4'-P energy: -126.688 bonds (distance) P-C4' energy: -138.006 flat angles C4'-P-C4' energy: -91.244 flat angles P-C4'-P energy: -57.041 tors. eta vs tors. theta energy: -26.303 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: 8 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -687.345679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.345679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.345679 (E_RNA) where: Base-Base interactions energy: -280.549 where: short stacking energy: -204.431 Base-Backbone interact. energy: -1.263 local terms energy: -405.532709 where: bonds (distance) C4'-P energy: -141.936 bonds (distance) P-C4' energy: -124.567 flat angles C4'-P-C4' energy: -114.952 flat angles P-C4'-P energy: -55.627 tors. eta vs tors. theta energy: 31.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2485.519633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.519633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.519633 (E_RNA) where: Base-Base interactions energy: -1658.339 where: short stacking energy: -756.193 Base-Backbone interact. energy: -2.292 local terms energy: -824.888169 where: bonds (distance) C4'-P energy: -149.574 bonds (distance) P-C4' energy: -176.199 flat angles C4'-P-C4' energy: -174.469 flat angles P-C4'-P energy: -109.405 tors. eta vs tors. theta energy: -215.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2321.760739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.760739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.760739 (E_RNA) where: Base-Base interactions energy: -1529.908 where: short stacking energy: -694.632 Base-Backbone interact. energy: -0.923 local terms energy: -790.929702 where: bonds (distance) C4'-P energy: -164.678 bonds (distance) P-C4' energy: -164.927 flat angles C4'-P-C4' energy: -174.715 flat angles P-C4'-P energy: -109.394 tors. eta vs tors. theta energy: -177.215 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: 10 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2028.469529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.469529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.469529 (E_RNA) where: Base-Base interactions energy: -1282.674 where: short stacking energy: -604.443 Base-Backbone interact. energy: -4.880 local terms energy: -740.915082 where: bonds (distance) C4'-P energy: -161.937 bonds (distance) P-C4' energy: -167.408 flat angles C4'-P-C4' energy: -163.823 flat angles P-C4'-P energy: -97.183 tors. eta vs tors. theta energy: -150.565 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: 4, replica: 4 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1947.194327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.194327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.194327 (E_RNA) where: Base-Base interactions energy: -1230.733 where: short stacking energy: -566.170 Base-Backbone interact. energy: -3.516 local terms energy: -712.945252 where: bonds (distance) C4'-P energy: -126.825 bonds (distance) P-C4' energy: -167.464 flat angles C4'-P-C4' energy: -162.803 flat angles P-C4'-P energy: -115.481 tors. eta vs tors. theta energy: -140.372 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: 2 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1773.748937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.748937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.748937 (E_RNA) where: Base-Base interactions energy: -1093.580 where: short stacking energy: -528.337 Base-Backbone interact. energy: 1.021 local terms energy: -681.189615 where: bonds (distance) C4'-P energy: -147.835 bonds (distance) P-C4' energy: -143.782 flat angles C4'-P-C4' energy: -158.310 flat angles P-C4'-P energy: -105.451 tors. eta vs tors. theta energy: -125.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1512.472020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.472020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.472020 (E_RNA) where: Base-Base interactions energy: -915.314 where: short stacking energy: -415.616 Base-Backbone interact. energy: 4.499 local terms energy: -601.657134 where: bonds (distance) C4'-P energy: -154.181 bonds (distance) P-C4' energy: -134.465 flat angles C4'-P-C4' energy: -148.875 flat angles P-C4'-P energy: -82.807 tors. eta vs tors. theta energy: -81.329 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: 66 Temperature: 1.200000 Total energy: -1517.490010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.490010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.490010 (E_RNA) where: Base-Base interactions energy: -943.507 where: short stacking energy: -450.438 Base-Backbone interact. energy: -3.033 local terms energy: -570.950043 where: bonds (distance) C4'-P energy: -125.787 bonds (distance) P-C4' energy: -133.754 flat angles C4'-P-C4' energy: -155.825 flat angles P-C4'-P energy: -74.582 tors. eta vs tors. theta energy: -81.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1089.925137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.925137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.925137 (E_RNA) where: Base-Base interactions energy: -589.352 where: short stacking energy: -308.964 Base-Backbone interact. energy: 3.631 local terms energy: -504.204167 where: bonds (distance) C4'-P energy: -133.360 bonds (distance) P-C4' energy: -136.098 flat angles C4'-P-C4' energy: -118.362 flat angles P-C4'-P energy: -85.651 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: 9, replica: 7 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -909.721644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.721644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.721644 (E_RNA) where: Base-Base interactions energy: -474.303 where: short stacking energy: -251.265 Base-Backbone interact. energy: 2.456 local terms energy: -437.874838 where: bonds (distance) C4'-P energy: -116.784 bonds (distance) P-C4' energy: -145.787 flat angles C4'-P-C4' energy: -113.907 flat angles P-C4'-P energy: -76.110 tors. eta vs tors. theta energy: 14.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -673.967718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.967718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.967718 (E_RNA) where: Base-Base interactions energy: -245.412 where: short stacking energy: -177.656 Base-Backbone interact. energy: 4.735 local terms energy: -433.290702 where: bonds (distance) C4'-P energy: -132.602 bonds (distance) P-C4' energy: -139.727 flat angles C4'-P-C4' energy: -123.438 flat angles P-C4'-P energy: -59.152 tors. eta vs tors. theta energy: 21.628 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: 3 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2507.396618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.396618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.396618 (E_RNA) where: Base-Base interactions energy: -1673.733 where: short stacking energy: -733.492 Base-Backbone interact. energy: -5.054 local terms energy: -828.609761 where: bonds (distance) C4'-P energy: -155.174 bonds (distance) P-C4' energy: -189.643 flat angles C4'-P-C4' energy: -179.611 flat angles P-C4'-P energy: -109.883 tors. eta vs tors. theta energy: -194.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2335.722499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.722499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.722499 (E_RNA) where: Base-Base interactions energy: -1535.636 where: short stacking energy: -673.084 Base-Backbone interact. energy: 4.620 local terms energy: -804.706113 where: bonds (distance) C4'-P energy: -163.425 bonds (distance) P-C4' energy: -162.347 flat angles C4'-P-C4' energy: -171.140 flat angles P-C4'-P energy: -113.162 tors. eta vs tors. theta energy: -194.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2071.920546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.920546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.920546 (E_RNA) where: Base-Base interactions energy: -1292.897 where: short stacking energy: -624.958 Base-Backbone interact. energy: -0.454 local terms energy: -778.569628 where: bonds (distance) C4'-P energy: -168.425 bonds (distance) P-C4' energy: -170.674 flat angles C4'-P-C4' energy: -166.228 flat angles P-C4'-P energy: -103.700 tors. eta vs tors. theta energy: -169.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2027.158303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.158303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.158303 (E_RNA) where: Base-Base interactions energy: -1310.228 where: short stacking energy: -611.270 Base-Backbone interact. energy: -6.248 local terms energy: -710.683008 where: bonds (distance) C4'-P energy: -148.395 bonds (distance) P-C4' energy: -161.653 flat angles C4'-P-C4' energy: -138.836 flat angles P-C4'-P energy: -109.317 tors. eta vs tors. theta energy: -152.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1735.747081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.747081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.747081 (E_RNA) where: Base-Base interactions energy: -1085.953 where: short stacking energy: -474.150 Base-Backbone interact. energy: 1.215 local terms energy: -651.008992 where: bonds (distance) C4'-P energy: -127.964 bonds (distance) P-C4' energy: -149.853 flat angles C4'-P-C4' energy: -145.260 flat angles P-C4'-P energy: -114.542 tors. eta vs tors. theta energy: -113.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1658.191474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.191474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.191474 (E_RNA) where: Base-Base interactions energy: -1015.841 where: short stacking energy: -489.642 Base-Backbone interact. energy: 3.598 local terms energy: -645.948438 where: bonds (distance) C4'-P energy: -153.435 bonds (distance) P-C4' energy: -147.333 flat angles C4'-P-C4' energy: -147.997 flat angles P-C4'-P energy: -90.357 tors. eta vs tors. theta energy: -106.825 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: 7, replica: 9 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1486.530376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.530376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.530376 (E_RNA) where: Base-Base interactions energy: -917.694 where: short stacking energy: -425.501 Base-Backbone interact. energy: 1.780 local terms energy: -570.616246 where: bonds (distance) C4'-P energy: -127.672 bonds (distance) P-C4' energy: -156.728 flat angles C4'-P-C4' energy: -133.786 flat angles P-C4'-P energy: -88.731 tors. eta vs tors. theta energy: -63.700 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: 8, replica: 1 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1106.828812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.828812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.828812 (E_RNA) where: Base-Base interactions energy: -615.636 where: short stacking energy: -331.013 Base-Backbone interact. energy: 2.714 local terms energy: -493.906069 where: bonds (distance) C4'-P energy: -138.068 bonds (distance) P-C4' energy: -129.659 flat angles C4'-P-C4' energy: -136.351 flat angles P-C4'-P energy: -64.843 tors. eta vs tors. theta energy: -24.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -942.028207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.028207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.028207 (E_RNA) where: Base-Base interactions energy: -463.621 where: short stacking energy: -289.297 Base-Backbone interact. energy: 0.962 local terms energy: -479.368430 where: bonds (distance) C4'-P energy: -130.344 bonds (distance) P-C4' energy: -138.892 flat angles C4'-P-C4' energy: -119.483 flat angles P-C4'-P energy: -73.510 tors. eta vs tors. theta energy: -17.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -729.393087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.393087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.393087 (E_RNA) where: Base-Base interactions energy: -300.338 where: short stacking energy: -197.192 Base-Backbone interact. energy: 4.522 local terms energy: -433.576881 where: bonds (distance) C4'-P energy: -142.529 bonds (distance) P-C4' energy: -134.031 flat angles C4'-P-C4' energy: -121.868 flat angles P-C4'-P energy: -51.658 tors. eta vs tors. theta energy: 16.509 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: 3 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2511.148547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.148547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.148547 (E_RNA) where: Base-Base interactions energy: -1689.079 where: short stacking energy: -778.117 Base-Backbone interact. energy: -2.090 local terms energy: -819.979462 where: bonds (distance) C4'-P energy: -143.447 bonds (distance) P-C4' energy: -163.308 flat angles C4'-P-C4' energy: -182.614 flat angles P-C4'-P energy: -118.559 tors. eta vs tors. theta energy: -212.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2370.810549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.810549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.810549 (E_RNA) where: Base-Base interactions energy: -1582.816 where: short stacking energy: -711.645 Base-Backbone interact. energy: -2.888 local terms energy: -785.106825 where: bonds (distance) C4'-P energy: -152.512 bonds (distance) P-C4' energy: -138.631 flat angles C4'-P-C4' energy: -172.531 flat angles P-C4'-P energy: -119.500 tors. eta vs tors. theta energy: -201.932 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: 10 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2112.291312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.291312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.291312 (E_RNA) where: Base-Base interactions energy: -1368.888 where: short stacking energy: -652.761 Base-Backbone interact. energy: -6.231 local terms energy: -737.172725 where: bonds (distance) C4'-P energy: -139.629 bonds (distance) P-C4' energy: -146.547 flat angles C4'-P-C4' energy: -174.084 flat angles P-C4'-P energy: -109.600 tors. eta vs tors. theta energy: -167.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1999.795982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.795982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.795982 (E_RNA) where: Base-Base interactions energy: -1298.944 where: short stacking energy: -616.041 Base-Backbone interact. energy: 3.931 local terms energy: -704.783081 where: bonds (distance) C4'-P energy: -151.942 bonds (distance) P-C4' energy: -157.382 flat angles C4'-P-C4' energy: -143.287 flat angles P-C4'-P energy: -102.792 tors. eta vs tors. theta energy: -149.380 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: 2 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1726.791440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.791440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.791440 (E_RNA) where: Base-Base interactions energy: -1065.326 where: short stacking energy: -486.553 Base-Backbone interact. energy: 1.616 local terms energy: -663.080916 where: bonds (distance) C4'-P energy: -151.419 bonds (distance) P-C4' energy: -141.840 flat angles C4'-P-C4' energy: -137.482 flat angles P-C4'-P energy: -115.848 tors. eta vs tors. theta energy: -116.492 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: 6, replica: 5 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1612.537545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.537545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.537545 (E_RNA) where: Base-Base interactions energy: -1002.078 where: short stacking energy: -481.175 Base-Backbone interact. energy: -1.943 local terms energy: -608.516204 where: bonds (distance) C4'-P energy: -149.690 bonds (distance) P-C4' energy: -144.169 flat angles C4'-P-C4' energy: -139.702 flat angles P-C4'-P energy: -93.081 tors. eta vs tors. theta energy: -81.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1558.719480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.719480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.719480 (E_RNA) where: Base-Base interactions energy: -969.613 where: short stacking energy: -456.167 Base-Backbone interact. energy: -2.283 local terms energy: -586.823123 where: bonds (distance) C4'-P energy: -129.858 bonds (distance) P-C4' energy: -137.599 flat angles C4'-P-C4' energy: -148.139 flat angles P-C4'-P energy: -87.721 tors. eta vs tors. theta energy: -83.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1154.785642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.785642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.785642 (E_RNA) where: Base-Base interactions energy: -628.027 where: short stacking energy: -346.420 Base-Backbone interact. energy: 0.209 local terms energy: -526.967881 where: bonds (distance) C4'-P energy: -130.539 bonds (distance) P-C4' energy: -121.981 flat angles C4'-P-C4' energy: -138.754 flat angles P-C4'-P energy: -79.197 tors. eta vs tors. theta energy: -56.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -1043.083855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.083855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.083855 (E_RNA) where: Base-Base interactions energy: -630.078 where: short stacking energy: -343.512 Base-Backbone interact. energy: -0.310 local terms energy: -412.695805 where: bonds (distance) C4'-P energy: -98.770 bonds (distance) P-C4' energy: -120.511 flat angles C4'-P-C4' energy: -105.922 flat angles P-C4'-P energy: -52.248 tors. eta vs tors. theta energy: -35.246 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: 8 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -679.199784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.199784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.199784 (E_RNA) where: Base-Base interactions energy: -277.550 where: short stacking energy: -180.117 Base-Backbone interact. energy: 0.072 local terms energy: -401.721661 where: bonds (distance) C4'-P energy: -128.103 bonds (distance) P-C4' energy: -144.689 flat angles C4'-P-C4' energy: -94.680 flat angles P-C4'-P energy: -67.832 tors. eta vs tors. theta energy: 33.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2485.123048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.123048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.123048 (E_RNA) where: Base-Base interactions energy: -1652.695 where: short stacking energy: -752.248 Base-Backbone interact. energy: -1.712 local terms energy: -830.715883 where: bonds (distance) C4'-P energy: -163.009 bonds (distance) P-C4' energy: -171.594 flat angles C4'-P-C4' energy: -175.383 flat angles P-C4'-P energy: -113.736 tors. eta vs tors. theta energy: -206.994 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: 69 Temperature: 0.950000 Total energy: -2347.074786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.074786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.074786 (E_RNA) where: Base-Base interactions energy: -1567.566 where: short stacking energy: -730.335 Base-Backbone interact. energy: -1.229 local terms energy: -778.280153 where: bonds (distance) C4'-P energy: -153.885 bonds (distance) P-C4' energy: -147.984 flat angles C4'-P-C4' energy: -159.577 flat angles P-C4'-P energy: -123.286 tors. eta vs tors. theta energy: -193.548 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: 69 Temperature: 1.000000 Total energy: -2101.212081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.212081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.212081 (E_RNA) where: Base-Base interactions energy: -1350.804 where: short stacking energy: -625.828 Base-Backbone interact. energy: -1.169 local terms energy: -749.239817 where: bonds (distance) C4'-P energy: -136.836 bonds (distance) P-C4' energy: -176.950 flat angles C4'-P-C4' energy: -163.046 flat angles P-C4'-P energy: -115.037 tors. eta vs tors. theta energy: -157.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2007.235147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.235147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.235147 (E_RNA) where: Base-Base interactions energy: -1318.992 where: short stacking energy: -592.435 Base-Backbone interact. energy: -3.400 local terms energy: -684.842434 where: bonds (distance) C4'-P energy: -152.987 bonds (distance) P-C4' energy: -140.457 flat angles C4'-P-C4' energy: -170.046 flat angles P-C4'-P energy: -80.829 tors. eta vs tors. theta energy: -140.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1764.193958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.193958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.193958 (E_RNA) where: Base-Base interactions energy: -1106.382 where: short stacking energy: -538.323 Base-Backbone interact. energy: -0.318 local terms energy: -657.493687 where: bonds (distance) C4'-P energy: -145.057 bonds (distance) P-C4' energy: -157.015 flat angles C4'-P-C4' energy: -156.440 flat angles P-C4'-P energy: -89.490 tors. eta vs tors. theta energy: -109.492 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: 6, replica: 5 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1574.820340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.820340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.820340 (E_RNA) where: Base-Base interactions energy: -974.711 where: short stacking energy: -434.988 Base-Backbone interact. energy: 1.556 local terms energy: -601.664712 where: bonds (distance) C4'-P energy: -142.376 bonds (distance) P-C4' energy: -154.602 flat angles C4'-P-C4' energy: -155.435 flat angles P-C4'-P energy: -82.121 tors. eta vs tors. theta energy: -67.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1537.729101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.729101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.729101 (E_RNA) where: Base-Base interactions energy: -942.486 where: short stacking energy: -446.331 Base-Backbone interact. energy: 0.600 local terms energy: -595.843340 where: bonds (distance) C4'-P energy: -141.709 bonds (distance) P-C4' energy: -146.404 flat angles C4'-P-C4' energy: -134.253 flat angles P-C4'-P energy: -84.243 tors. eta vs tors. theta energy: -89.234 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: 8, replica: 1 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1143.742757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.742757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.742757 (E_RNA) where: Base-Base interactions energy: -609.066 where: short stacking energy: -305.672 Base-Backbone interact. energy: 0.005 local terms energy: -534.681182 where: bonds (distance) C4'-P energy: -158.093 bonds (distance) P-C4' energy: -134.696 flat angles C4'-P-C4' energy: -136.322 flat angles P-C4'-P energy: -72.739 tors. eta vs tors. theta energy: -32.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -970.196867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.196867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.196867 (E_RNA) where: Base-Base interactions energy: -494.097 where: short stacking energy: -277.013 Base-Backbone interact. energy: 1.261 local terms energy: -477.361245 where: bonds (distance) C4'-P energy: -138.303 bonds (distance) P-C4' energy: -133.719 flat angles C4'-P-C4' energy: -137.346 flat angles P-C4'-P energy: -52.442 tors. eta vs tors. theta energy: -15.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -601.986831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.986831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.986831 (E_RNA) where: Base-Base interactions energy: -197.359 where: short stacking energy: -141.159 Base-Backbone interact. energy: -1.799 local terms energy: -402.828223 where: bonds (distance) C4'-P energy: -117.830 bonds (distance) P-C4' energy: -135.145 flat angles C4'-P-C4' energy: -109.498 flat angles P-C4'-P energy: -65.590 tors. eta vs tors. theta energy: 25.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2478.989629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.989629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.989629 (E_RNA) where: Base-Base interactions energy: -1676.700 where: short stacking energy: -745.373 Base-Backbone interact. energy: -1.728 local terms energy: -800.560917 where: bonds (distance) C4'-P energy: -150.775 bonds (distance) P-C4' energy: -152.841 flat angles C4'-P-C4' energy: -172.493 flat angles P-C4'-P energy: -117.718 tors. eta vs tors. theta energy: -206.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2395.989537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.989537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.989537 (E_RNA) where: Base-Base interactions energy: -1589.196 where: short stacking energy: -710.827 Base-Backbone interact. energy: -4.054 local terms energy: -802.739203 where: bonds (distance) C4'-P energy: -158.512 bonds (distance) P-C4' energy: -157.877 flat angles C4'-P-C4' energy: -176.213 flat angles P-C4'-P energy: -115.716 tors. eta vs tors. theta energy: -194.420 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: 4 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2086.157028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.157028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.157028 (E_RNA) where: Base-Base interactions energy: -1345.472 where: short stacking energy: -627.131 Base-Backbone interact. energy: -3.501 local terms energy: -737.183633 where: bonds (distance) C4'-P energy: -140.754 bonds (distance) P-C4' energy: -154.026 flat angles C4'-P-C4' energy: -177.727 flat angles P-C4'-P energy: -103.074 tors. eta vs tors. theta energy: -161.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1987.222770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.222770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.222770 (E_RNA) where: Base-Base interactions energy: -1254.176 where: short stacking energy: -595.737 Base-Backbone interact. energy: -3.731 local terms energy: -729.315543 where: bonds (distance) C4'-P energy: -165.515 bonds (distance) P-C4' energy: -151.695 flat angles C4'-P-C4' energy: -153.944 flat angles P-C4'-P energy: -112.092 tors. eta vs tors. theta energy: -146.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1797.269187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.269187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.269187 (E_RNA) where: Base-Base interactions energy: -1123.275 where: short stacking energy: -496.354 Base-Backbone interact. energy: -4.458 local terms energy: -669.536573 where: bonds (distance) C4'-P energy: -147.137 bonds (distance) P-C4' energy: -142.777 flat angles C4'-P-C4' energy: -157.732 flat angles P-C4'-P energy: -111.043 tors. eta vs tors. theta energy: -110.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1605.824138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.824138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.824138 (E_RNA) where: Base-Base interactions energy: -999.004 where: short stacking energy: -459.122 Base-Backbone interact. energy: -3.486 local terms energy: -603.334602 where: bonds (distance) C4'-P energy: -129.876 bonds (distance) P-C4' energy: -137.617 flat angles C4'-P-C4' energy: -146.870 flat angles P-C4'-P energy: -100.396 tors. eta vs tors. theta energy: -88.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1473.080406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.080406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.080406 (E_RNA) where: Base-Base interactions energy: -932.185 where: short stacking energy: -435.449 Base-Backbone interact. energy: -0.108 local terms energy: -540.787290 where: bonds (distance) C4'-P energy: -124.631 bonds (distance) P-C4' energy: -126.506 flat angles C4'-P-C4' energy: -133.858 flat angles P-C4'-P energy: -89.318 tors. eta vs tors. theta energy: -66.474 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: 1 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1163.658065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.658065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.658065 (E_RNA) where: Base-Base interactions energy: -643.352 where: short stacking energy: -354.991 Base-Backbone interact. energy: -2.475 local terms energy: -517.830735 where: bonds (distance) C4'-P energy: -129.113 bonds (distance) P-C4' energy: -144.375 flat angles C4'-P-C4' energy: -128.422 flat angles P-C4'-P energy: -76.847 tors. eta vs tors. theta energy: -39.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1069.803613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.803613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.803613 (E_RNA) where: Base-Base interactions energy: -561.485 where: short stacking energy: -290.332 Base-Backbone interact. energy: 2.363 local terms energy: -510.681044 where: bonds (distance) C4'-P energy: -140.882 bonds (distance) P-C4' energy: -133.453 flat angles C4'-P-C4' energy: -111.726 flat angles P-C4'-P energy: -84.028 tors. eta vs tors. theta energy: -40.592 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: 8 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -609.057728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.057728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.057728 (E_RNA) where: Base-Base interactions energy: -197.726 where: short stacking energy: -159.655 Base-Backbone interact. energy: 4.508 local terms energy: -415.839825 where: bonds (distance) C4'-P energy: -134.239 bonds (distance) P-C4' energy: -132.460 flat angles C4'-P-C4' energy: -126.398 flat angles P-C4'-P energy: -46.922 tors. eta vs tors. theta energy: 24.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2509.468985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.468985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.468985 (E_RNA) where: Base-Base interactions energy: -1654.730 where: short stacking energy: -740.676 Base-Backbone interact. energy: -0.974 local terms energy: -853.764466 where: bonds (distance) C4'-P energy: -165.793 bonds (distance) P-C4' energy: -182.349 flat angles C4'-P-C4' energy: -182.148 flat angles P-C4'-P energy: -121.079 tors. eta vs tors. theta energy: -202.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2456.493084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.493084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.493084 (E_RNA) where: Base-Base interactions energy: -1640.030 where: short stacking energy: -723.842 Base-Backbone interact. energy: -2.849 local terms energy: -813.614520 where: bonds (distance) C4'-P energy: -145.417 bonds (distance) P-C4' energy: -162.241 flat angles C4'-P-C4' energy: -171.418 flat angles P-C4'-P energy: -127.564 tors. eta vs tors. theta energy: -206.975 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: 4 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2088.851607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.851607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.851607 (E_RNA) where: Base-Base interactions energy: -1332.259 where: short stacking energy: -630.389 Base-Backbone interact. energy: -2.993 local terms energy: -753.599057 where: bonds (distance) C4'-P energy: -156.809 bonds (distance) P-C4' energy: -154.054 flat angles C4'-P-C4' energy: -172.180 flat angles P-C4'-P energy: -115.983 tors. eta vs tors. theta energy: -154.573 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: 71 Temperature: 1.050000 Total energy: -2000.162469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.162469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.162469 (E_RNA) where: Base-Base interactions energy: -1311.284 where: short stacking energy: -591.195 Base-Backbone interact. energy: -2.671 local terms energy: -686.207244 where: bonds (distance) C4'-P energy: -124.118 bonds (distance) P-C4' energy: -135.421 flat angles C4'-P-C4' energy: -156.447 flat angles P-C4'-P energy: -115.212 tors. eta vs tors. theta energy: -155.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1826.907833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.907833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.907833 (E_RNA) where: Base-Base interactions energy: -1166.823 where: short stacking energy: -518.716 Base-Backbone interact. energy: -3.872 local terms energy: -656.212443 where: bonds (distance) C4'-P energy: -139.858 bonds (distance) P-C4' energy: -155.866 flat angles C4'-P-C4' energy: -151.127 flat angles P-C4'-P energy: -96.170 tors. eta vs tors. theta energy: -113.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1619.959821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.959821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.959821 (E_RNA) where: Base-Base interactions energy: -995.500 where: short stacking energy: -495.629 Base-Backbone interact. energy: 0.965 local terms energy: -625.424879 where: bonds (distance) C4'-P energy: -142.649 bonds (distance) P-C4' energy: -149.488 flat angles C4'-P-C4' energy: -142.622 flat angles P-C4'-P energy: -93.603 tors. eta vs tors. theta energy: -97.063 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: 9 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1490.962959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.962959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.962959 (E_RNA) where: Base-Base interactions energy: -923.291 where: short stacking energy: -430.836 Base-Backbone interact. energy: -3.645 local terms energy: -564.027523 where: bonds (distance) C4'-P energy: -136.796 bonds (distance) P-C4' energy: -132.559 flat angles C4'-P-C4' energy: -139.078 flat angles P-C4'-P energy: -69.318 tors. eta vs tors. theta energy: -86.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1113.946816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.946816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.946816 (E_RNA) where: Base-Base interactions energy: -655.779 where: short stacking energy: -327.736 Base-Backbone interact. energy: 2.369 local terms energy: -460.536836 where: bonds (distance) C4'-P energy: -131.544 bonds (distance) P-C4' energy: -120.224 flat angles C4'-P-C4' energy: -101.850 flat angles P-C4'-P energy: -81.943 tors. eta vs tors. theta energy: -24.977 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: 9, replica: 7 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -1036.104804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.104804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.104804 (E_RNA) where: Base-Base interactions energy: -580.110 where: short stacking energy: -285.034 Base-Backbone interact. energy: 3.280 local terms energy: -459.274924 where: bonds (distance) C4'-P energy: -129.058 bonds (distance) P-C4' energy: -140.913 flat angles C4'-P-C4' energy: -108.699 flat angles P-C4'-P energy: -72.931 tors. eta vs tors. theta energy: -7.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -632.186708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.186708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.186708 (E_RNA) where: Base-Base interactions energy: -229.714 where: short stacking energy: -169.422 Base-Backbone interact. energy: 4.305 local terms energy: -406.776966 where: bonds (distance) C4'-P energy: -133.902 bonds (distance) P-C4' energy: -130.871 flat angles C4'-P-C4' energy: -110.251 flat angles P-C4'-P energy: -60.866 tors. eta vs tors. theta energy: 29.114 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: 3 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2492.853205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.853205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.853205 (E_RNA) where: Base-Base interactions energy: -1664.545 where: short stacking energy: -777.389 Base-Backbone interact. energy: -3.736 local terms energy: -824.572255 where: bonds (distance) C4'-P energy: -147.794 bonds (distance) P-C4' energy: -169.556 flat angles C4'-P-C4' energy: -177.161 flat angles P-C4'-P energy: -111.789 tors. eta vs tors. theta energy: -218.271 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: 72 Temperature: 0.950000 Total energy: -2433.342237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.342237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.342237 (E_RNA) where: Base-Base interactions energy: -1672.234 where: short stacking energy: -745.222 Base-Backbone interact. energy: -3.273 local terms energy: -757.834866 where: bonds (distance) C4'-P energy: -146.706 bonds (distance) P-C4' energy: -146.288 flat angles C4'-P-C4' energy: -187.509 flat angles P-C4'-P energy: -90.278 tors. eta vs tors. theta energy: -187.053 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: 4 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2119.794908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.794908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.794908 (E_RNA) where: Base-Base interactions energy: -1375.828 where: short stacking energy: -673.706 Base-Backbone interact. energy: 0.288 local terms energy: -744.253998 where: bonds (distance) C4'-P energy: -144.901 bonds (distance) P-C4' energy: -147.246 flat angles C4'-P-C4' energy: -165.673 flat angles P-C4'-P energy: -105.545 tors. eta vs tors. theta energy: -180.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1999.611123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.611123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.611123 (E_RNA) where: Base-Base interactions energy: -1256.357 where: short stacking energy: -604.648 Base-Backbone interact. energy: 1.190 local terms energy: -744.444042 where: bonds (distance) C4'-P energy: -154.368 bonds (distance) P-C4' energy: -146.131 flat angles C4'-P-C4' energy: -177.902 flat angles P-C4'-P energy: -104.234 tors. eta vs tors. theta energy: -161.808 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: 2 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1804.091331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.091331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.091331 (E_RNA) where: Base-Base interactions energy: -1146.859 where: short stacking energy: -528.583 Base-Backbone interact. energy: -2.319 local terms energy: -654.912902 where: bonds (distance) C4'-P energy: -108.789 bonds (distance) P-C4' energy: -160.636 flat angles C4'-P-C4' energy: -152.875 flat angles P-C4'-P energy: -105.396 tors. eta vs tors. theta energy: -127.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1598.451415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.451415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.451415 (E_RNA) where: Base-Base interactions energy: -990.737 where: short stacking energy: -473.949 Base-Backbone interact. energy: -1.620 local terms energy: -606.094599 where: bonds (distance) C4'-P energy: -126.662 bonds (distance) P-C4' energy: -138.852 flat angles C4'-P-C4' energy: -161.190 flat angles P-C4'-P energy: -88.104 tors. eta vs tors. theta energy: -91.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1550.358685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.358685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.358685 (E_RNA) where: Base-Base interactions energy: -932.074 where: short stacking energy: -457.079 Base-Backbone interact. energy: -0.377 local terms energy: -617.907275 where: bonds (distance) C4'-P energy: -144.478 bonds (distance) P-C4' energy: -147.163 flat angles C4'-P-C4' energy: -146.872 flat angles P-C4'-P energy: -87.643 tors. eta vs tors. theta energy: -91.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1163.878603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.878603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.878603 (E_RNA) where: Base-Base interactions energy: -622.669 where: short stacking energy: -320.868 Base-Backbone interact. energy: -2.686 local terms energy: -538.523747 where: bonds (distance) C4'-P energy: -112.639 bonds (distance) P-C4' energy: -150.624 flat angles C4'-P-C4' energy: -139.294 flat angles P-C4'-P energy: -90.300 tors. eta vs tors. theta energy: -45.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1051.710408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.710408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.710408 (E_RNA) where: Base-Base interactions energy: -579.081 where: short stacking energy: -308.286 Base-Backbone interact. energy: 7.209 local terms energy: -479.838590 where: bonds (distance) C4'-P energy: -116.642 bonds (distance) P-C4' energy: -120.391 flat angles C4'-P-C4' energy: -136.439 flat angles P-C4'-P energy: -74.884 tors. eta vs tors. theta energy: -31.483 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: 8 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -636.467086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.467086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.467086 (E_RNA) where: Base-Base interactions energy: -254.783 where: short stacking energy: -147.607 Base-Backbone interact. energy: 2.275 local terms energy: -383.958253 where: bonds (distance) C4'-P energy: -116.652 bonds (distance) P-C4' energy: -138.696 flat angles C4'-P-C4' energy: -105.765 flat angles P-C4'-P energy: -66.513 tors. eta vs tors. theta energy: 43.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2470.933084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.933084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.933084 (E_RNA) where: Base-Base interactions energy: -1626.342 where: short stacking energy: -733.860 Base-Backbone interact. energy: -1.053 local terms energy: -843.538129 where: bonds (distance) C4'-P energy: -150.968 bonds (distance) P-C4' energy: -169.427 flat angles C4'-P-C4' energy: -191.643 flat angles P-C4'-P energy: -120.219 tors. eta vs tors. theta energy: -211.281 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: 6 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2451.725608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.725608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.725608 (E_RNA) where: Base-Base interactions energy: -1655.470 where: short stacking energy: -704.404 Base-Backbone interact. energy: 2.925 local terms energy: -799.180207 where: bonds (distance) C4'-P energy: -147.481 bonds (distance) P-C4' energy: -165.458 flat angles C4'-P-C4' energy: -182.404 flat angles P-C4'-P energy: -115.165 tors. eta vs tors. theta energy: -188.672 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: 4 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2123.690989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.690989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.690989 (E_RNA) where: Base-Base interactions energy: -1361.520 where: short stacking energy: -650.368 Base-Backbone interact. energy: -3.280 local terms energy: -758.891098 where: bonds (distance) C4'-P energy: -153.984 bonds (distance) P-C4' energy: -156.153 flat angles C4'-P-C4' energy: -174.614 flat angles P-C4'-P energy: -102.139 tors. eta vs tors. theta energy: -172.001 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: 73 Temperature: 1.050000 Total energy: -1981.902514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.902514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.902514 (E_RNA) where: Base-Base interactions energy: -1254.918 where: short stacking energy: -599.866 Base-Backbone interact. energy: -1.340 local terms energy: -725.644122 where: bonds (distance) C4'-P energy: -125.177 bonds (distance) P-C4' energy: -162.209 flat angles C4'-P-C4' energy: -170.277 flat angles P-C4'-P energy: -109.354 tors. eta vs tors. theta energy: -158.628 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: 2 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1769.177428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.177428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.177428 (E_RNA) where: Base-Base interactions energy: -1134.448 where: short stacking energy: -510.508 Base-Backbone interact. energy: -1.810 local terms energy: -632.919337 where: bonds (distance) C4'-P energy: -146.006 bonds (distance) P-C4' energy: -144.769 flat angles C4'-P-C4' energy: -146.235 flat angles P-C4'-P energy: -94.610 tors. eta vs tors. theta energy: -101.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1645.519533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.519533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.519533 (E_RNA) where: Base-Base interactions energy: -986.855 where: short stacking energy: -496.033 Base-Backbone interact. energy: 1.406 local terms energy: -660.070856 where: bonds (distance) C4'-P energy: -152.824 bonds (distance) P-C4' energy: -146.063 flat angles C4'-P-C4' energy: -148.227 flat angles P-C4'-P energy: -99.677 tors. eta vs tors. theta energy: -113.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1467.857010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.857010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.857010 (E_RNA) where: Base-Base interactions energy: -877.176 where: short stacking energy: -421.612 Base-Backbone interact. energy: 6.036 local terms energy: -596.716911 where: bonds (distance) C4'-P energy: -140.640 bonds (distance) P-C4' energy: -130.576 flat angles C4'-P-C4' energy: -146.922 flat angles P-C4'-P energy: -101.565 tors. eta vs tors. theta energy: -77.014 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: 73 Temperature: 1.250000 Total energy: -1190.783255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.783255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.783255 (E_RNA) where: Base-Base interactions energy: -671.433 where: short stacking energy: -337.285 Base-Backbone interact. energy: -0.377 local terms energy: -518.973493 where: bonds (distance) C4'-P energy: -138.846 bonds (distance) P-C4' energy: -124.746 flat angles C4'-P-C4' energy: -124.980 flat angles P-C4'-P energy: -91.174 tors. eta vs tors. theta energy: -39.228 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: 7 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -1021.519433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.519433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.519433 (E_RNA) where: Base-Base interactions energy: -533.123 where: short stacking energy: -294.536 Base-Backbone interact. energy: -0.657 local terms energy: -487.739459 where: bonds (distance) C4'-P energy: -129.324 bonds (distance) P-C4' energy: -143.933 flat angles C4'-P-C4' energy: -113.950 flat angles P-C4'-P energy: -80.110 tors. eta vs tors. theta energy: -20.422 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: 10, replica: 8 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -700.311829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.311829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.311829 (E_RNA) where: Base-Base interactions energy: -269.541 where: short stacking energy: -200.278 Base-Backbone interact. energy: 7.805 local terms energy: -438.575433 where: bonds (distance) C4'-P energy: -138.741 bonds (distance) P-C4' energy: -145.466 flat angles C4'-P-C4' energy: -99.944 flat angles P-C4'-P energy: -71.225 tors. eta vs tors. theta energy: 16.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2532.252941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.252941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.252941 (E_RNA) where: Base-Base interactions energy: -1695.301 where: short stacking energy: -754.224 Base-Backbone interact. energy: -6.232 local terms energy: -830.720728 where: bonds (distance) C4'-P energy: -159.045 bonds (distance) P-C4' energy: -158.347 flat angles C4'-P-C4' energy: -162.623 flat angles P-C4'-P energy: -131.782 tors. eta vs tors. theta energy: -218.924 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: 3 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2436.441321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.441321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.441321 (E_RNA) where: Base-Base interactions energy: -1612.533 where: short stacking energy: -713.416 Base-Backbone interact. energy: -3.223 local terms energy: -820.685658 where: bonds (distance) C4'-P energy: -167.537 bonds (distance) P-C4' energy: -159.272 flat angles C4'-P-C4' energy: -178.842 flat angles P-C4'-P energy: -116.398 tors. eta vs tors. theta energy: -198.636 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: 4 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2138.683605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.683605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.683605 (E_RNA) where: Base-Base interactions energy: -1412.234 where: short stacking energy: -667.503 Base-Backbone interact. energy: 0.163 local terms energy: -726.612340 where: bonds (distance) C4'-P energy: -136.938 bonds (distance) P-C4' energy: -146.537 flat angles C4'-P-C4' energy: -175.320 flat angles P-C4'-P energy: -110.537 tors. eta vs tors. theta energy: -157.281 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: 10 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2023.335811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.335811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.335811 (E_RNA) where: Base-Base interactions energy: -1294.781 where: short stacking energy: -620.283 Base-Backbone interact. energy: -6.873 local terms energy: -721.681360 where: bonds (distance) C4'-P energy: -151.003 bonds (distance) P-C4' energy: -157.729 flat angles C4'-P-C4' energy: -155.310 flat angles P-C4'-P energy: -104.858 tors. eta vs tors. theta energy: -152.781 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: 2 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1754.888802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.888802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.888802 (E_RNA) where: Base-Base interactions energy: -1110.260 where: short stacking energy: -486.290 Base-Backbone interact. energy: -0.456 local terms energy: -644.172016 where: bonds (distance) C4'-P energy: -135.881 bonds (distance) P-C4' energy: -152.254 flat angles C4'-P-C4' energy: -155.234 flat angles P-C4'-P energy: -102.564 tors. eta vs tors. theta energy: -98.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1666.155713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.155713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.155713 (E_RNA) where: Base-Base interactions energy: -1066.555 where: short stacking energy: -472.066 Base-Backbone interact. energy: 2.049 local terms energy: -601.650081 where: bonds (distance) C4'-P energy: -138.570 bonds (distance) P-C4' energy: -149.216 flat angles C4'-P-C4' energy: -153.717 flat angles P-C4'-P energy: -70.680 tors. eta vs tors. theta energy: -89.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1409.159438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.159438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.159438 (E_RNA) where: Base-Base interactions energy: -820.289 where: short stacking energy: -393.727 Base-Backbone interact. energy: -3.168 local terms energy: -585.701713 where: bonds (distance) C4'-P energy: -150.892 bonds (distance) P-C4' energy: -128.571 flat angles C4'-P-C4' energy: -135.993 flat angles P-C4'-P energy: -90.916 tors. eta vs tors. theta energy: -79.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1137.177108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.177108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.177108 (E_RNA) where: Base-Base interactions energy: -654.029 where: short stacking energy: -326.984 Base-Backbone interact. energy: -3.395 local terms energy: -479.753445 where: bonds (distance) C4'-P energy: -141.156 bonds (distance) P-C4' energy: -130.697 flat angles C4'-P-C4' energy: -108.629 flat angles P-C4'-P energy: -82.397 tors. eta vs tors. theta energy: -16.874 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: 7 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -999.017709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.017709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.017709 (E_RNA) where: Base-Base interactions energy: -537.576 where: short stacking energy: -309.692 Base-Backbone interact. energy: 2.066 local terms energy: -463.507254 where: bonds (distance) C4'-P energy: -122.330 bonds (distance) P-C4' energy: -132.963 flat angles C4'-P-C4' energy: -120.572 flat angles P-C4'-P energy: -78.787 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: 8 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -689.976621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.976621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.976621 (E_RNA) where: Base-Base interactions energy: -315.852 where: short stacking energy: -195.678 Base-Backbone interact. energy: 1.033 local terms energy: -375.158178 where: bonds (distance) C4'-P energy: -128.012 bonds (distance) P-C4' energy: -127.691 flat angles C4'-P-C4' energy: -115.352 flat angles P-C4'-P energy: -38.259 tors. eta vs tors. theta energy: 34.155 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: 75 Temperature: 0.900000 Total energy: -2520.780769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.780769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.780769 (E_RNA) where: Base-Base interactions energy: -1703.409 where: short stacking energy: -725.623 Base-Backbone interact. energy: -0.547 local terms energy: -816.824812 where: bonds (distance) C4'-P energy: -158.752 bonds (distance) P-C4' energy: -169.688 flat angles C4'-P-C4' energy: -183.001 flat angles P-C4'-P energy: -108.569 tors. eta vs tors. theta energy: -196.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2389.549519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.549519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.549519 (E_RNA) where: Base-Base interactions energy: -1596.136 where: short stacking energy: -747.216 Base-Backbone interact. energy: 1.869 local terms energy: -795.282162 where: bonds (distance) C4'-P energy: -153.870 bonds (distance) P-C4' energy: -170.346 flat angles C4'-P-C4' energy: -166.852 flat angles P-C4'-P energy: -105.393 tors. eta vs tors. theta energy: -198.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2061.363985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.363985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.363985 (E_RNA) where: Base-Base interactions energy: -1302.763 where: short stacking energy: -609.067 Base-Backbone interact. energy: 0.020 local terms energy: -758.621292 where: bonds (distance) C4'-P energy: -165.504 bonds (distance) P-C4' energy: -164.074 flat angles C4'-P-C4' energy: -175.712 flat angles P-C4'-P energy: -109.531 tors. eta vs tors. theta energy: -143.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2035.366948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.366948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.366948 (E_RNA) where: Base-Base interactions energy: -1284.907 where: short stacking energy: -620.353 Base-Backbone interact. energy: -1.904 local terms energy: -748.555972 where: bonds (distance) C4'-P energy: -157.017 bonds (distance) P-C4' energy: -166.440 flat angles C4'-P-C4' energy: -156.857 flat angles P-C4'-P energy: -106.048 tors. eta vs tors. theta energy: -162.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1767.071848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.071848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.071848 (E_RNA) where: Base-Base interactions energy: -1100.772 where: short stacking energy: -496.274 Base-Backbone interact. energy: -2.609 local terms energy: -663.691130 where: bonds (distance) C4'-P energy: -149.391 bonds (distance) P-C4' energy: -150.590 flat angles C4'-P-C4' energy: -157.610 flat angles P-C4'-P energy: -89.878 tors. eta vs tors. theta energy: -116.222 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: 9 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1662.581129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.581129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.581129 (E_RNA) where: Base-Base interactions energy: -1038.483 where: short stacking energy: -501.400 Base-Backbone interact. energy: -2.147 local terms energy: -621.950672 where: bonds (distance) C4'-P energy: -137.660 bonds (distance) P-C4' energy: -141.341 flat angles C4'-P-C4' energy: -144.051 flat angles P-C4'-P energy: -90.444 tors. eta vs tors. theta energy: -108.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1441.031858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.031858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.031858 (E_RNA) where: Base-Base interactions energy: -904.190 where: short stacking energy: -438.497 Base-Backbone interact. energy: -0.803 local terms energy: -536.039136 where: bonds (distance) C4'-P energy: -111.562 bonds (distance) P-C4' energy: -135.752 flat angles C4'-P-C4' energy: -152.487 flat angles P-C4'-P energy: -63.191 tors. eta vs tors. theta energy: -73.048 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: 75 Temperature: 1.250000 Total energy: -1184.543827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.543827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.543827 (E_RNA) where: Base-Base interactions energy: -668.128 where: short stacking energy: -366.679 Base-Backbone interact. energy: -5.686 local terms energy: -510.729760 where: bonds (distance) C4'-P energy: -114.243 bonds (distance) P-C4' energy: -135.533 flat angles C4'-P-C4' energy: -134.125 flat angles P-C4'-P energy: -76.176 tors. eta vs tors. theta energy: -50.652 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: 9, replica: 7 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -1043.144494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.144494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.144494 (E_RNA) where: Base-Base interactions energy: -564.300 where: short stacking energy: -321.736 Base-Backbone interact. energy: 0.072 local terms energy: -478.916633 where: bonds (distance) C4'-P energy: -125.893 bonds (distance) P-C4' energy: -108.568 flat angles C4'-P-C4' energy: -123.856 flat angles P-C4'-P energy: -87.257 tors. eta vs tors. theta energy: -33.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -717.972970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.972970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.972970 (E_RNA) where: Base-Base interactions energy: -317.248 where: short stacking energy: -210.823 Base-Backbone interact. energy: 0.195 local terms energy: -400.920066 where: bonds (distance) C4'-P energy: -108.167 bonds (distance) P-C4' energy: -142.378 flat angles C4'-P-C4' energy: -101.353 flat angles P-C4'-P energy: -64.713 tors. eta vs tors. theta energy: 15.692 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: 6 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2560.941510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.941510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.941510 (E_RNA) where: Base-Base interactions energy: -1721.856 where: short stacking energy: -745.633 Base-Backbone interact. energy: -0.288 local terms energy: -838.797721 where: bonds (distance) C4'-P energy: -171.869 bonds (distance) P-C4' energy: -159.467 flat angles C4'-P-C4' energy: -170.870 flat angles P-C4'-P energy: -129.168 tors. eta vs tors. theta energy: -207.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2368.364124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.364124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.364124 (E_RNA) where: Base-Base interactions energy: -1566.515 where: short stacking energy: -696.744 Base-Backbone interact. energy: 2.029 local terms energy: -803.878020 where: bonds (distance) C4'-P energy: -156.972 bonds (distance) P-C4' energy: -164.031 flat angles C4'-P-C4' energy: -170.628 flat angles P-C4'-P energy: -125.186 tors. eta vs tors. theta energy: -187.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2056.004220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.004220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.004220 (E_RNA) where: Base-Base interactions energy: -1329.298 where: short stacking energy: -613.137 Base-Backbone interact. energy: -0.749 local terms energy: -725.956781 where: bonds (distance) C4'-P energy: -165.166 bonds (distance) P-C4' energy: -162.498 flat angles C4'-P-C4' energy: -163.993 flat angles P-C4'-P energy: -82.811 tors. eta vs tors. theta energy: -151.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2003.247951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.247951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.247951 (E_RNA) where: Base-Base interactions energy: -1274.914 where: short stacking energy: -605.645 Base-Backbone interact. energy: -1.697 local terms energy: -726.637203 where: bonds (distance) C4'-P energy: -131.449 bonds (distance) P-C4' energy: -177.090 flat angles C4'-P-C4' energy: -151.521 flat angles P-C4'-P energy: -110.532 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: 5, replica: 2 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1774.989348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.989348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.989348 (E_RNA) where: Base-Base interactions energy: -1119.869 where: short stacking energy: -510.851 Base-Backbone interact. energy: -5.305 local terms energy: -649.815059 where: bonds (distance) C4'-P energy: -138.148 bonds (distance) P-C4' energy: -161.204 flat angles C4'-P-C4' energy: -133.507 flat angles P-C4'-P energy: -112.148 tors. eta vs tors. theta energy: -104.808 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: 9 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1643.752679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.752679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.752679 (E_RNA) where: Base-Base interactions energy: -1030.391 where: short stacking energy: -470.758 Base-Backbone interact. energy: -2.047 local terms energy: -611.314017 where: bonds (distance) C4'-P energy: -129.384 bonds (distance) P-C4' energy: -142.045 flat angles C4'-P-C4' energy: -135.682 flat angles P-C4'-P energy: -102.565 tors. eta vs tors. theta energy: -101.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1406.149076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.149076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.149076 (E_RNA) where: Base-Base interactions energy: -835.278 where: short stacking energy: -414.583 Base-Backbone interact. energy: -2.137 local terms energy: -568.734032 where: bonds (distance) C4'-P energy: -122.388 bonds (distance) P-C4' energy: -151.365 flat angles C4'-P-C4' energy: -134.145 flat angles P-C4'-P energy: -83.571 tors. eta vs tors. theta energy: -77.265 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: 76 Temperature: 1.250000 Total energy: -1262.546266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.546266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.546266 (E_RNA) where: Base-Base interactions energy: -723.000 where: short stacking energy: -364.351 Base-Backbone interact. energy: 3.598 local terms energy: -543.143884 where: bonds (distance) C4'-P energy: -138.415 bonds (distance) P-C4' energy: -144.486 flat angles C4'-P-C4' energy: -122.492 flat angles P-C4'-P energy: -89.570 tors. eta vs tors. theta energy: -48.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -1026.396755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.396755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.396755 (E_RNA) where: Base-Base interactions energy: -541.517 where: short stacking energy: -297.969 Base-Backbone interact. energy: -0.557 local terms energy: -484.323374 where: bonds (distance) C4'-P energy: -123.650 bonds (distance) P-C4' energy: -124.206 flat angles C4'-P-C4' energy: -133.178 flat angles P-C4'-P energy: -77.621 tors. eta vs tors. theta energy: -25.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -743.799663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.799663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.799663 (E_RNA) where: Base-Base interactions energy: -321.821 where: short stacking energy: -186.819 Base-Backbone interact. energy: 2.277 local terms energy: -424.255778 where: bonds (distance) C4'-P energy: -138.159 bonds (distance) P-C4' energy: -137.736 flat angles C4'-P-C4' energy: -114.786 flat angles P-C4'-P energy: -62.752 tors. eta vs tors. theta energy: 29.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2536.854375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.854375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.854375 (E_RNA) where: Base-Base interactions energy: -1720.248 where: short stacking energy: -743.442 Base-Backbone interact. energy: -3.955 local terms energy: -812.651711 where: bonds (distance) C4'-P energy: -151.753 bonds (distance) P-C4' energy: -154.476 flat angles C4'-P-C4' energy: -183.639 flat angles P-C4'-P energy: -107.568 tors. eta vs tors. theta energy: -215.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2370.762810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.762810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.762810 (E_RNA) where: Base-Base interactions energy: -1566.755 where: short stacking energy: -723.928 Base-Backbone interact. energy: -4.305 local terms energy: -799.702496 where: bonds (distance) C4'-P energy: -153.522 bonds (distance) P-C4' energy: -172.344 flat angles C4'-P-C4' energy: -169.748 flat angles P-C4'-P energy: -110.550 tors. eta vs tors. theta energy: -193.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2066.671740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.671740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.671740 (E_RNA) where: Base-Base interactions energy: -1327.434 where: short stacking energy: -653.723 Base-Backbone interact. energy: -2.414 local terms energy: -736.823233 where: bonds (distance) C4'-P energy: -147.894 bonds (distance) P-C4' energy: -150.413 flat angles C4'-P-C4' energy: -178.709 flat angles P-C4'-P energy: -107.180 tors. eta vs tors. theta energy: -152.627 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: 77 Temperature: 1.050000 Total energy: -2037.407058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.407058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.407058 (E_RNA) where: Base-Base interactions energy: -1308.505 where: short stacking energy: -607.392 Base-Backbone interact. energy: -2.904 local terms energy: -725.997653 where: bonds (distance) C4'-P energy: -146.951 bonds (distance) P-C4' energy: -158.536 flat angles C4'-P-C4' energy: -168.032 flat angles P-C4'-P energy: -94.250 tors. eta vs tors. theta energy: -158.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1745.011818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.011818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.011818 (E_RNA) where: Base-Base interactions energy: -1105.973 where: short stacking energy: -507.561 Base-Backbone interact. energy: -3.928 local terms energy: -635.111324 where: bonds (distance) C4'-P energy: -139.750 bonds (distance) P-C4' energy: -160.114 flat angles C4'-P-C4' energy: -145.117 flat angles P-C4'-P energy: -86.868 tors. eta vs tors. theta energy: -103.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1579.772447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.772447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.772447 (E_RNA) where: Base-Base interactions energy: -929.146 where: short stacking energy: -458.180 Base-Backbone interact. energy: -2.583 local terms energy: -648.044082 where: bonds (distance) C4'-P energy: -142.828 bonds (distance) P-C4' energy: -159.540 flat angles C4'-P-C4' energy: -147.720 flat angles P-C4'-P energy: -98.309 tors. eta vs tors. theta energy: -99.647 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: 5 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1462.369466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.369466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.369466 (E_RNA) where: Base-Base interactions energy: -901.576 where: short stacking energy: -444.718 Base-Backbone interact. energy: 0.683 local terms energy: -561.475947 where: bonds (distance) C4'-P energy: -117.691 bonds (distance) P-C4' energy: -130.976 flat angles C4'-P-C4' energy: -144.579 flat angles P-C4'-P energy: -82.471 tors. eta vs tors. theta energy: -85.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1164.684313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.684313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.684313 (E_RNA) where: Base-Base interactions energy: -688.637 where: short stacking energy: -322.351 Base-Backbone interact. energy: -3.215 local terms energy: -472.832822 where: bonds (distance) C4'-P energy: -122.666 bonds (distance) P-C4' energy: -140.358 flat angles C4'-P-C4' energy: -131.135 flat angles P-C4'-P energy: -54.420 tors. eta vs tors. theta energy: -24.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -913.606305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.606305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.606305 (E_RNA) where: Base-Base interactions energy: -476.755 where: short stacking energy: -269.619 Base-Backbone interact. energy: -3.328 local terms energy: -433.523609 where: bonds (distance) C4'-P energy: -112.047 bonds (distance) P-C4' energy: -126.655 flat angles C4'-P-C4' energy: -113.787 flat angles P-C4'-P energy: -69.397 tors. eta vs tors. theta energy: -11.637 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: 8 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -679.110473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.110473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.110473 (E_RNA) where: Base-Base interactions energy: -275.035 where: short stacking energy: -163.531 Base-Backbone interact. energy: 0.437 local terms energy: -404.513338 where: bonds (distance) C4'-P energy: -127.928 bonds (distance) P-C4' energy: -133.143 flat angles C4'-P-C4' energy: -107.950 flat angles P-C4'-P energy: -80.922 tors. eta vs tors. theta energy: 45.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2543.464111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.464111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.464111 (E_RNA) where: Base-Base interactions energy: -1732.772 where: short stacking energy: -728.029 Base-Backbone interact. energy: -5.433 local terms energy: -805.259274 where: bonds (distance) C4'-P energy: -159.890 bonds (distance) P-C4' energy: -153.830 flat angles C4'-P-C4' energy: -174.220 flat angles P-C4'-P energy: -111.007 tors. eta vs tors. theta energy: -206.312 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: 3 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2456.558533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.558533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.558533 (E_RNA) where: Base-Base interactions energy: -1663.041 where: short stacking energy: -735.496 Base-Backbone interact. energy: -1.682 local terms energy: -791.835547 where: bonds (distance) C4'-P energy: -154.105 bonds (distance) P-C4' energy: -151.243 flat angles C4'-P-C4' energy: -176.401 flat angles P-C4'-P energy: -116.836 tors. eta vs tors. theta energy: -193.251 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: 10 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2118.300425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.300425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.300425 (E_RNA) where: Base-Base interactions energy: -1380.129 where: short stacking energy: -651.395 Base-Backbone interact. energy: 2.107 local terms energy: -740.278144 where: bonds (distance) C4'-P energy: -139.457 bonds (distance) P-C4' energy: -149.504 flat angles C4'-P-C4' energy: -170.771 flat angles P-C4'-P energy: -120.813 tors. eta vs tors. theta energy: -159.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1979.614350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.614350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.614350 (E_RNA) where: Base-Base interactions energy: -1246.266 where: short stacking energy: -609.469 Base-Backbone interact. energy: 1.635 local terms energy: -734.983540 where: bonds (distance) C4'-P energy: -155.075 bonds (distance) P-C4' energy: -151.984 flat angles C4'-P-C4' energy: -157.484 flat angles P-C4'-P energy: -112.798 tors. eta vs tors. theta energy: -157.642 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: 5, replica: 2 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1732.035834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.035834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.035834 (E_RNA) where: Base-Base interactions energy: -1095.019 where: short stacking energy: -504.235 Base-Backbone interact. energy: -2.581 local terms energy: -634.436072 where: bonds (distance) C4'-P energy: -118.775 bonds (distance) P-C4' energy: -156.372 flat angles C4'-P-C4' energy: -145.772 flat angles P-C4'-P energy: -98.977 tors. eta vs tors. theta energy: -114.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1619.884972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.884972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.884972 (E_RNA) where: Base-Base interactions energy: -982.903 where: short stacking energy: -467.728 Base-Backbone interact. energy: 0.576 local terms energy: -637.558617 where: bonds (distance) C4'-P energy: -138.106 bonds (distance) P-C4' energy: -147.964 flat angles C4'-P-C4' energy: -169.704 flat angles P-C4'-P energy: -90.083 tors. eta vs tors. theta energy: -91.702 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: 7, replica: 5 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1426.934508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.934508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.934508 (E_RNA) where: Base-Base interactions energy: -839.967 where: short stacking energy: -449.585 Base-Backbone interact. energy: -2.145 local terms energy: -584.822916 where: bonds (distance) C4'-P energy: -145.013 bonds (distance) P-C4' energy: -133.300 flat angles C4'-P-C4' energy: -136.402 flat angles P-C4'-P energy: -83.473 tors. eta vs tors. theta energy: -86.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1229.797415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.797415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.797415 (E_RNA) where: Base-Base interactions energy: -699.336 where: short stacking energy: -340.730 Base-Backbone interact. energy: 4.089 local terms energy: -534.550494 where: bonds (distance) C4'-P energy: -137.808 bonds (distance) P-C4' energy: -135.527 flat angles C4'-P-C4' energy: -137.758 flat angles P-C4'-P energy: -84.247 tors. eta vs tors. theta energy: -39.210 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: 7 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -851.397127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.397127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.397127 (E_RNA) where: Base-Base interactions energy: -395.662 where: short stacking energy: -254.471 Base-Backbone interact. energy: 0.053 local terms energy: -455.787645 where: bonds (distance) C4'-P energy: -127.840 bonds (distance) P-C4' energy: -119.335 flat angles C4'-P-C4' energy: -106.267 flat angles P-C4'-P energy: -76.491 tors. eta vs tors. theta energy: -25.855 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: 8 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -690.209304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.209304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.209304 (E_RNA) where: Base-Base interactions energy: -326.238 where: short stacking energy: -188.144 Base-Backbone interact. energy: -1.867 local terms energy: -362.104200 where: bonds (distance) C4'-P energy: -126.795 bonds (distance) P-C4' energy: -110.732 flat angles C4'-P-C4' energy: -114.340 flat angles P-C4'-P energy: -54.012 tors. eta vs tors. theta energy: 43.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2565.825034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.825034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.825034 (E_RNA) where: Base-Base interactions energy: -1737.658 where: short stacking energy: -776.658 Base-Backbone interact. energy: -0.222 local terms energy: -827.945312 where: bonds (distance) C4'-P energy: -160.139 bonds (distance) P-C4' energy: -163.136 flat angles C4'-P-C4' energy: -180.749 flat angles P-C4'-P energy: -104.883 tors. eta vs tors. theta energy: -219.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2465.232626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.232626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.232626 (E_RNA) where: Base-Base interactions energy: -1632.928 where: short stacking energy: -717.253 Base-Backbone interact. energy: 1.496 local terms energy: -833.800948 where: bonds (distance) C4'-P energy: -162.645 bonds (distance) P-C4' energy: -164.506 flat angles C4'-P-C4' energy: -177.429 flat angles P-C4'-P energy: -130.637 tors. eta vs tors. theta energy: -198.584 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: 10 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2130.708937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.708937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.708937 (E_RNA) where: Base-Base interactions energy: -1392.325 where: short stacking energy: -629.869 Base-Backbone interact. energy: -1.910 local terms energy: -736.474109 where: bonds (distance) C4'-P energy: -151.580 bonds (distance) P-C4' energy: -149.410 flat angles C4'-P-C4' energy: -163.887 flat angles P-C4'-P energy: -93.873 tors. eta vs tors. theta energy: -177.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1982.471463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.471463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.471463 (E_RNA) where: Base-Base interactions energy: -1282.621 where: short stacking energy: -620.199 Base-Backbone interact. energy: -3.310 local terms energy: -696.540382 where: bonds (distance) C4'-P energy: -148.894 bonds (distance) P-C4' energy: -132.927 flat angles C4'-P-C4' energy: -160.295 flat angles P-C4'-P energy: -96.830 tors. eta vs tors. theta energy: -157.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1760.074581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.074581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.074581 (E_RNA) where: Base-Base interactions energy: -1135.458 where: short stacking energy: -500.140 Base-Backbone interact. energy: 4.926 local terms energy: -629.542354 where: bonds (distance) C4'-P energy: -146.364 bonds (distance) P-C4' energy: -128.010 flat angles C4'-P-C4' energy: -158.656 flat angles P-C4'-P energy: -106.718 tors. eta vs tors. theta energy: -89.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1627.620393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.620393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.620393 (E_RNA) where: Base-Base interactions energy: -1007.328 where: short stacking energy: -484.088 Base-Backbone interact. energy: -0.899 local terms energy: -619.393464 where: bonds (distance) C4'-P energy: -131.890 bonds (distance) P-C4' energy: -140.409 flat angles C4'-P-C4' energy: -161.218 flat angles P-C4'-P energy: -81.343 tors. eta vs tors. theta energy: -104.533 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: 5 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1408.845018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.845018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.845018 (E_RNA) where: Base-Base interactions energy: -839.027 where: short stacking energy: -389.849 Base-Backbone interact. energy: -2.580 local terms energy: -567.238070 where: bonds (distance) C4'-P energy: -137.565 bonds (distance) P-C4' energy: -159.541 flat angles C4'-P-C4' energy: -145.706 flat angles P-C4'-P energy: -80.808 tors. eta vs tors. theta energy: -43.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1185.423901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.423901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.423901 (E_RNA) where: Base-Base interactions energy: -685.934 where: short stacking energy: -366.114 Base-Backbone interact. energy: -0.649 local terms energy: -498.841021 where: bonds (distance) C4'-P energy: -121.292 bonds (distance) P-C4' energy: -146.657 flat angles C4'-P-C4' energy: -122.221 flat angles P-C4'-P energy: -62.422 tors. eta vs tors. theta energy: -46.248 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: 7 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -803.133769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.133769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.133769 (E_RNA) where: Base-Base interactions energy: -363.666 where: short stacking energy: -212.604 Base-Backbone interact. energy: -1.287 local terms energy: -438.180394 where: bonds (distance) C4'-P energy: -137.429 bonds (distance) P-C4' energy: -147.933 flat angles C4'-P-C4' energy: -108.386 flat angles P-C4'-P energy: -50.779 tors. eta vs tors. theta energy: 6.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -748.859431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.859431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.859431 (E_RNA) where: Base-Base interactions energy: -297.648 where: short stacking energy: -192.376 Base-Backbone interact. energy: -1.792 local terms energy: -449.419554 where: bonds (distance) C4'-P energy: -131.616 bonds (distance) P-C4' energy: -156.446 flat angles C4'-P-C4' energy: -129.368 flat angles P-C4'-P energy: -43.402 tors. eta vs tors. theta energy: 11.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2587.837134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.837134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.837134 (E_RNA) where: Base-Base interactions energy: -1772.306 where: short stacking energy: -758.151 Base-Backbone interact. energy: -1.534 local terms energy: -813.997120 where: bonds (distance) C4'-P energy: -156.233 bonds (distance) P-C4' energy: -166.194 flat angles C4'-P-C4' energy: -181.334 flat angles P-C4'-P energy: -107.521 tors. eta vs tors. theta energy: -202.715 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: 3 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2469.470989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.470989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.470989 (E_RNA) where: Base-Base interactions energy: -1676.938 where: short stacking energy: -761.372 Base-Backbone interact. energy: -2.212 local terms energy: -790.320875 where: bonds (distance) C4'-P energy: -140.107 bonds (distance) P-C4' energy: -156.182 flat angles C4'-P-C4' energy: -179.902 flat angles P-C4'-P energy: -111.786 tors. eta vs tors. theta energy: -202.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2172.712532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.712532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.712532 (E_RNA) where: Base-Base interactions energy: -1428.539 where: short stacking energy: -668.517 Base-Backbone interact. energy: -1.661 local terms energy: -742.512489 where: bonds (distance) C4'-P energy: -162.927 bonds (distance) P-C4' energy: -155.992 flat angles C4'-P-C4' energy: -151.882 flat angles P-C4'-P energy: -116.885 tors. eta vs tors. theta energy: -154.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1885.648525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.648525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.648525 (E_RNA) where: Base-Base interactions energy: -1219.314 where: short stacking energy: -580.138 Base-Backbone interact. energy: -0.998 local terms energy: -665.336302 where: bonds (distance) C4'-P energy: -138.370 bonds (distance) P-C4' energy: -148.814 flat angles C4'-P-C4' energy: -158.210 flat angles P-C4'-P energy: -86.178 tors. eta vs tors. theta energy: -133.764 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: 2 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1766.716943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.716943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.716943 (E_RNA) where: Base-Base interactions energy: -1145.864 where: short stacking energy: -501.288 Base-Backbone interact. energy: 2.295 local terms energy: -623.147222 where: bonds (distance) C4'-P energy: -133.010 bonds (distance) P-C4' energy: -138.085 flat angles C4'-P-C4' energy: -147.246 flat angles P-C4'-P energy: -111.569 tors. eta vs tors. theta energy: -93.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1661.017947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.017947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.017947 (E_RNA) where: Base-Base interactions energy: -1033.811 where: short stacking energy: -479.580 Base-Backbone interact. energy: -0.741 local terms energy: -626.466105 where: bonds (distance) C4'-P energy: -145.065 bonds (distance) P-C4' energy: -152.422 flat angles C4'-P-C4' energy: -127.884 flat angles P-C4'-P energy: -78.562 tors. eta vs tors. theta energy: -122.534 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: 80 Temperature: 1.200000 Total energy: -1381.687208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.687208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.687208 (E_RNA) where: Base-Base interactions energy: -804.959 where: short stacking energy: -401.369 Base-Backbone interact. energy: -0.513 local terms energy: -576.215479 where: bonds (distance) C4'-P energy: -140.736 bonds (distance) P-C4' energy: -149.150 flat angles C4'-P-C4' energy: -129.831 flat angles P-C4'-P energy: -97.190 tors. eta vs tors. theta energy: -59.308 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: 8, replica: 1 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1223.701611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.701611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.701611 (E_RNA) where: Base-Base interactions energy: -717.658 where: short stacking energy: -354.163 Base-Backbone interact. energy: -0.375 local terms energy: -505.668273 where: bonds (distance) C4'-P energy: -129.072 bonds (distance) P-C4' energy: -130.061 flat angles C4'-P-C4' energy: -131.379 flat angles P-C4'-P energy: -85.690 tors. eta vs tors. theta energy: -29.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -840.993569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.993569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.993569 (E_RNA) where: Base-Base interactions energy: -410.024 where: short stacking energy: -248.460 Base-Backbone interact. energy: -1.700 local terms energy: -429.269642 where: bonds (distance) C4'-P energy: -129.949 bonds (distance) P-C4' energy: -128.974 flat angles C4'-P-C4' energy: -115.278 flat angles P-C4'-P energy: -71.510 tors. eta vs tors. theta energy: 16.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -758.584543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.584543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.584543 (E_RNA) where: Base-Base interactions energy: -319.988 where: short stacking energy: -199.208 Base-Backbone interact. energy: 1.849 local terms energy: -440.446132 where: bonds (distance) C4'-P energy: -117.751 bonds (distance) P-C4' energy: -136.467 flat angles C4'-P-C4' energy: -131.712 flat angles P-C4'-P energy: -75.861 tors. eta vs tors. theta energy: 21.345 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: 1, replica: 6 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2582.295437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.295437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.295437 (E_RNA) where: Base-Base interactions energy: -1765.652 where: short stacking energy: -773.692 Base-Backbone interact. energy: 1.962 local terms energy: -818.605214 where: bonds (distance) C4'-P energy: -148.494 bonds (distance) P-C4' energy: -154.869 flat angles C4'-P-C4' energy: -178.943 flat angles P-C4'-P energy: -123.083 tors. eta vs tors. theta energy: -213.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2494.199444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.199444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.199444 (E_RNA) where: Base-Base interactions energy: -1662.649 where: short stacking energy: -769.182 Base-Backbone interact. energy: -3.004 local terms energy: -828.546670 where: bonds (distance) C4'-P energy: -157.968 bonds (distance) P-C4' energy: -152.324 flat angles C4'-P-C4' energy: -187.445 flat angles P-C4'-P energy: -120.536 tors. eta vs tors. theta energy: -210.272 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: 81 Temperature: 1.000000 Total energy: -2134.872247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.872247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.872247 (E_RNA) where: Base-Base interactions energy: -1391.327 where: short stacking energy: -660.373 Base-Backbone interact. energy: -3.763 local terms energy: -739.782441 where: bonds (distance) C4'-P energy: -159.423 bonds (distance) P-C4' energy: -133.567 flat angles C4'-P-C4' energy: -174.940 flat angles P-C4'-P energy: -99.488 tors. eta vs tors. theta energy: -172.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1930.819973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.819973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.819973 (E_RNA) where: Base-Base interactions energy: -1216.177 where: short stacking energy: -598.991 Base-Backbone interact. energy: 4.402 local terms energy: -719.044376 where: bonds (distance) C4'-P energy: -134.414 bonds (distance) P-C4' energy: -164.850 flat angles C4'-P-C4' energy: -164.722 flat angles P-C4'-P energy: -107.841 tors. eta vs tors. theta energy: -147.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1763.620462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.620462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.620462 (E_RNA) where: Base-Base interactions energy: -1131.327 where: short stacking energy: -513.537 Base-Backbone interact. energy: 1.899 local terms energy: -634.192058 where: bonds (distance) C4'-P energy: -138.868 bonds (distance) P-C4' energy: -142.952 flat angles C4'-P-C4' energy: -151.460 flat angles P-C4'-P energy: -97.146 tors. eta vs tors. theta energy: -103.766 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: 6, replica: 9 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1636.109260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.109260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.109260 (E_RNA) where: Base-Base interactions energy: -998.964 where: short stacking energy: -482.724 Base-Backbone interact. energy: 0.011 local terms energy: -637.155972 where: bonds (distance) C4'-P energy: -138.963 bonds (distance) P-C4' energy: -145.279 flat angles C4'-P-C4' energy: -147.621 flat angles P-C4'-P energy: -90.269 tors. eta vs tors. theta energy: -115.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1369.009103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.009103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.009103 (E_RNA) where: Base-Base interactions energy: -832.941 where: short stacking energy: -427.756 Base-Backbone interact. energy: -4.069 local terms energy: -531.999398 where: bonds (distance) C4'-P energy: -155.269 bonds (distance) P-C4' energy: -144.324 flat angles C4'-P-C4' energy: -116.388 flat angles P-C4'-P energy: -64.722 tors. eta vs tors. theta energy: -51.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1197.247331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.247331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.247331 (E_RNA) where: Base-Base interactions energy: -669.742 where: short stacking energy: -370.324 Base-Backbone interact. energy: -1.953 local terms energy: -525.551665 where: bonds (distance) C4'-P energy: -151.818 bonds (distance) P-C4' energy: -141.101 flat angles C4'-P-C4' energy: -128.258 flat angles P-C4'-P energy: -68.771 tors. eta vs tors. theta energy: -35.603 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: 7 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -845.753720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.753720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.753720 (E_RNA) where: Base-Base interactions energy: -407.005 where: short stacking energy: -254.482 Base-Backbone interact. energy: 6.404 local terms energy: -445.153006 where: bonds (distance) C4'-P energy: -129.536 bonds (distance) P-C4' energy: -150.151 flat angles C4'-P-C4' energy: -104.508 flat angles P-C4'-P energy: -75.269 tors. eta vs tors. theta energy: 14.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -747.226669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.226669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.226669 (E_RNA) where: Base-Base interactions energy: -319.169 where: short stacking energy: -220.603 Base-Backbone interact. energy: 2.908 local terms energy: -430.965902 where: bonds (distance) C4'-P energy: -132.217 bonds (distance) P-C4' energy: -132.461 flat angles C4'-P-C4' energy: -107.544 flat angles P-C4'-P energy: -68.962 tors. eta vs tors. theta energy: 10.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2574.954486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.954486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.954486 (E_RNA) where: Base-Base interactions energy: -1750.565 where: short stacking energy: -748.857 Base-Backbone interact. energy: -1.527 local terms energy: -822.861918 where: bonds (distance) C4'-P energy: -152.178 bonds (distance) P-C4' energy: -179.309 flat angles C4'-P-C4' energy: -173.052 flat angles P-C4'-P energy: -113.475 tors. eta vs tors. theta energy: -204.847 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: 2, replica: 3 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2481.366812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.366812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.366812 (E_RNA) where: Base-Base interactions energy: -1632.327 where: short stacking energy: -738.578 Base-Backbone interact. energy: 0.313 local terms energy: -849.353038 where: bonds (distance) C4'-P energy: -160.246 bonds (distance) P-C4' energy: -158.270 flat angles C4'-P-C4' energy: -185.863 flat angles P-C4'-P energy: -133.357 tors. eta vs tors. theta energy: -211.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2240.731091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.731091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.731091 (E_RNA) where: Base-Base interactions energy: -1471.510 where: short stacking energy: -677.811 Base-Backbone interact. energy: -4.386 local terms energy: -764.835443 where: bonds (distance) C4'-P energy: -150.389 bonds (distance) P-C4' energy: -139.559 flat angles C4'-P-C4' energy: -180.373 flat angles P-C4'-P energy: -117.348 tors. eta vs tors. theta energy: -177.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1938.058161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.058161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.058161 (E_RNA) where: Base-Base interactions energy: -1261.196 where: short stacking energy: -562.835 Base-Backbone interact. energy: -1.734 local terms energy: -675.128619 where: bonds (distance) C4'-P energy: -154.267 bonds (distance) P-C4' energy: -150.744 flat angles C4'-P-C4' energy: -153.358 flat angles P-C4'-P energy: -102.624 tors. eta vs tors. theta energy: -114.136 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: 5, replica: 2 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1806.377960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.377960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.377960 (E_RNA) where: Base-Base interactions energy: -1177.539 where: short stacking energy: -576.556 Base-Backbone interact. energy: -2.796 local terms energy: -626.042628 where: bonds (distance) C4'-P energy: -121.891 bonds (distance) P-C4' energy: -139.096 flat angles C4'-P-C4' energy: -147.884 flat angles P-C4'-P energy: -100.519 tors. eta vs tors. theta energy: -116.653 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: 6, replica: 9 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1635.474253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.474253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.474253 (E_RNA) where: Base-Base interactions energy: -996.014 where: short stacking energy: -477.025 Base-Backbone interact. energy: -2.656 local terms energy: -636.804349 where: bonds (distance) C4'-P energy: -133.036 bonds (distance) P-C4' energy: -152.582 flat angles C4'-P-C4' energy: -150.012 flat angles P-C4'-P energy: -97.008 tors. eta vs tors. theta energy: -104.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1457.917293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.917293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.917293 (E_RNA) where: Base-Base interactions energy: -849.443 where: short stacking energy: -441.361 Base-Backbone interact. energy: -6.857 local terms energy: -601.617196 where: bonds (distance) C4'-P energy: -148.239 bonds (distance) P-C4' energy: -137.396 flat angles C4'-P-C4' energy: -139.945 flat angles P-C4'-P energy: -99.415 tors. eta vs tors. theta energy: -76.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1116.781533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.781533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.781533 (E_RNA) where: Base-Base interactions energy: -602.375 where: short stacking energy: -336.420 Base-Backbone interact. energy: -1.154 local terms energy: -513.253277 where: bonds (distance) C4'-P energy: -124.061 bonds (distance) P-C4' energy: -136.526 flat angles C4'-P-C4' energy: -125.646 flat angles P-C4'-P energy: -73.668 tors. eta vs tors. theta energy: -53.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -878.687980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.687980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.687980 (E_RNA) where: Base-Base interactions energy: -413.321 where: short stacking energy: -271.015 Base-Backbone interact. energy: 0.179 local terms energy: -465.546494 where: bonds (distance) C4'-P energy: -137.864 bonds (distance) P-C4' energy: -123.915 flat angles C4'-P-C4' energy: -133.179 flat angles P-C4'-P energy: -67.828 tors. eta vs tors. theta energy: -2.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -786.701891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.701891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.701891 (E_RNA) where: Base-Base interactions energy: -358.119 where: short stacking energy: -242.376 Base-Backbone interact. energy: 2.514 local terms energy: -431.097029 where: bonds (distance) C4'-P energy: -129.115 bonds (distance) P-C4' energy: -125.210 flat angles C4'-P-C4' energy: -115.514 flat angles P-C4'-P energy: -61.950 tors. eta vs tors. theta energy: 0.692 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: 6 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2576.968237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.968237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.968237 (E_RNA) where: Base-Base interactions energy: -1718.636 where: short stacking energy: -788.004 Base-Backbone interact. energy: -6.684 local terms energy: -851.648428 where: bonds (distance) C4'-P energy: -169.404 bonds (distance) P-C4' energy: -166.652 flat angles C4'-P-C4' energy: -179.847 flat angles P-C4'-P energy: -117.826 tors. eta vs tors. theta energy: -217.919 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: 3 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2455.558732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.558732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.558732 (E_RNA) where: Base-Base interactions energy: -1629.238 where: short stacking energy: -730.255 Base-Backbone interact. energy: -2.773 local terms energy: -823.547980 where: bonds (distance) C4'-P energy: -156.678 bonds (distance) P-C4' energy: -162.114 flat angles C4'-P-C4' energy: -179.229 flat angles P-C4'-P energy: -121.589 tors. eta vs tors. theta energy: -203.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2167.634528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.634528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.634528 (E_RNA) where: Base-Base interactions energy: -1463.842 where: short stacking energy: -643.256 Base-Backbone interact. energy: -4.564 local terms energy: -699.228544 where: bonds (distance) C4'-P energy: -131.660 bonds (distance) P-C4' energy: -157.673 flat angles C4'-P-C4' energy: -150.545 flat angles P-C4'-P energy: -98.809 tors. eta vs tors. theta energy: -160.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1974.026863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.026863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.026863 (E_RNA) where: Base-Base interactions energy: -1259.937 where: short stacking energy: -614.933 Base-Backbone interact. energy: 0.006 local terms energy: -714.096025 where: bonds (distance) C4'-P energy: -148.585 bonds (distance) P-C4' energy: -151.148 flat angles C4'-P-C4' energy: -149.417 flat angles P-C4'-P energy: -109.024 tors. eta vs tors. theta energy: -155.923 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: 5, replica: 2 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1806.368619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.368619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.368619 (E_RNA) where: Base-Base interactions energy: -1161.316 where: short stacking energy: -546.642 Base-Backbone interact. energy: 0.783 local terms energy: -645.835586 where: bonds (distance) C4'-P energy: -129.198 bonds (distance) P-C4' energy: -147.972 flat angles C4'-P-C4' energy: -171.102 flat angles P-C4'-P energy: -86.351 tors. eta vs tors. theta energy: -111.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1663.106236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.106236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.106236 (E_RNA) where: Base-Base interactions energy: -1032.519 where: short stacking energy: -511.428 Base-Backbone interact. energy: -3.702 local terms energy: -626.884691 where: bonds (distance) C4'-P energy: -139.593 bonds (distance) P-C4' energy: -148.611 flat angles C4'-P-C4' energy: -150.878 flat angles P-C4'-P energy: -82.408 tors. eta vs tors. theta energy: -105.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1432.613602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.613602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.613602 (E_RNA) where: Base-Base interactions energy: -855.654 where: short stacking energy: -451.512 Base-Backbone interact. energy: 0.410 local terms energy: -577.369010 where: bonds (distance) C4'-P energy: -133.616 bonds (distance) P-C4' energy: -145.836 flat angles C4'-P-C4' energy: -140.187 flat angles P-C4'-P energy: -89.481 tors. eta vs tors. theta energy: -68.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1160.556274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.556274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.556274 (E_RNA) where: Base-Base interactions energy: -680.373 where: short stacking energy: -332.965 Base-Backbone interact. energy: 8.873 local terms energy: -489.056128 where: bonds (distance) C4'-P energy: -111.660 bonds (distance) P-C4' energy: -147.253 flat angles C4'-P-C4' energy: -95.911 flat angles P-C4'-P energy: -80.794 tors. eta vs tors. theta energy: -53.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -805.476000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.476000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.476000 (E_RNA) where: Base-Base interactions energy: -371.592 where: short stacking energy: -218.640 Base-Backbone interact. energy: -0.770 local terms energy: -433.113284 where: bonds (distance) C4'-P energy: -124.245 bonds (distance) P-C4' energy: -123.648 flat angles C4'-P-C4' energy: -115.558 flat angles P-C4'-P energy: -74.304 tors. eta vs tors. theta energy: 4.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -760.408910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.408910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.408910 (E_RNA) where: Base-Base interactions energy: -324.276 where: short stacking energy: -230.070 Base-Backbone interact. energy: 2.664 local terms energy: -438.797402 where: bonds (distance) C4'-P energy: -117.623 bonds (distance) P-C4' energy: -150.334 flat angles C4'-P-C4' energy: -104.045 flat angles P-C4'-P energy: -71.315 tors. eta vs tors. theta energy: 4.520 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: 84 Temperature: 0.900000 Total energy: -2553.745990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.745990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.745990 (E_RNA) where: Base-Base interactions energy: -1746.325 where: short stacking energy: -755.335 Base-Backbone interact. energy: -2.895 local terms energy: -804.525354 where: bonds (distance) C4'-P energy: -157.676 bonds (distance) P-C4' energy: -161.703 flat angles C4'-P-C4' energy: -185.008 flat angles P-C4'-P energy: -95.429 tors. eta vs tors. theta energy: -204.709 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: 2, replica: 3 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2454.975217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.975217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.975217 (E_RNA) where: Base-Base interactions energy: -1653.494 where: short stacking energy: -734.200 Base-Backbone interact. energy: -4.896 local terms energy: -796.584931 where: bonds (distance) C4'-P energy: -156.412 bonds (distance) P-C4' energy: -143.867 flat angles C4'-P-C4' energy: -173.670 flat angles P-C4'-P energy: -118.902 tors. eta vs tors. theta energy: -203.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2115.721889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.721889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.721889 (E_RNA) where: Base-Base interactions energy: -1388.352 where: short stacking energy: -639.187 Base-Backbone interact. energy: -1.179 local terms energy: -726.190293 where: bonds (distance) C4'-P energy: -150.822 bonds (distance) P-C4' energy: -158.772 flat angles C4'-P-C4' energy: -165.701 flat angles P-C4'-P energy: -97.128 tors. eta vs tors. theta energy: -153.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1939.030220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.030220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.030220 (E_RNA) where: Base-Base interactions energy: -1208.168 where: short stacking energy: -569.512 Base-Backbone interact. energy: -3.766 local terms energy: -727.096277 where: bonds (distance) C4'-P energy: -157.153 bonds (distance) P-C4' energy: -158.977 flat angles C4'-P-C4' energy: -169.342 flat angles P-C4'-P energy: -111.919 tors. eta vs tors. theta energy: -129.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1839.335714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.335714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.335714 (E_RNA) where: Base-Base interactions energy: -1152.829 where: short stacking energy: -529.248 Base-Backbone interact. energy: -9.283 local terms energy: -677.224438 where: bonds (distance) C4'-P energy: -146.926 bonds (distance) P-C4' energy: -147.814 flat angles C4'-P-C4' energy: -167.183 flat angles P-C4'-P energy: -96.799 tors. eta vs tors. theta energy: -118.504 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: 9 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1700.743183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.743183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.743183 (E_RNA) where: Base-Base interactions energy: -1049.291 where: short stacking energy: -507.555 Base-Backbone interact. energy: -0.852 local terms energy: -650.600068 where: bonds (distance) C4'-P energy: -144.129 bonds (distance) P-C4' energy: -156.150 flat angles C4'-P-C4' energy: -151.209 flat angles P-C4'-P energy: -85.861 tors. eta vs tors. theta energy: -113.251 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: 5 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1426.896812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.896812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.896812 (E_RNA) where: Base-Base interactions energy: -884.031 where: short stacking energy: -415.125 Base-Backbone interact. energy: -3.004 local terms energy: -539.861662 where: bonds (distance) C4'-P energy: -121.744 bonds (distance) P-C4' energy: -130.546 flat angles C4'-P-C4' energy: -136.766 flat angles P-C4'-P energy: -81.438 tors. eta vs tors. theta energy: -69.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1166.556335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.556335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.556335 (E_RNA) where: Base-Base interactions energy: -649.490 where: short stacking energy: -350.169 Base-Backbone interact. energy: -2.270 local terms energy: -514.795881 where: bonds (distance) C4'-P energy: -118.841 bonds (distance) P-C4' energy: -126.231 flat angles C4'-P-C4' energy: -135.779 flat angles P-C4'-P energy: -85.691 tors. eta vs tors. theta energy: -48.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -796.305778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.305778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.305778 (E_RNA) where: Base-Base interactions energy: -358.883 where: short stacking energy: -238.851 Base-Backbone interact. energy: -1.425 local terms energy: -435.998684 where: bonds (distance) C4'-P energy: -115.408 bonds (distance) P-C4' energy: -131.764 flat angles C4'-P-C4' energy: -103.768 flat angles P-C4'-P energy: -72.731 tors. eta vs tors. theta energy: -12.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -721.087230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.087230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.087230 (E_RNA) where: Base-Base interactions energy: -297.207 where: short stacking energy: -213.843 Base-Backbone interact. energy: 3.614 local terms energy: -427.494890 where: bonds (distance) C4'-P energy: -122.073 bonds (distance) P-C4' energy: -145.487 flat angles C4'-P-C4' energy: -114.968 flat angles P-C4'-P energy: -54.863 tors. eta vs tors. theta energy: 9.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2568.621648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.621648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.621648 (E_RNA) where: Base-Base interactions energy: -1742.792 where: short stacking energy: -753.402 Base-Backbone interact. energy: 0.092 local terms energy: -825.922366 where: bonds (distance) C4'-P energy: -162.477 bonds (distance) P-C4' energy: -166.635 flat angles C4'-P-C4' energy: -184.473 flat angles P-C4'-P energy: -99.895 tors. eta vs tors. theta energy: -212.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2456.402583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.402583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.402583 (E_RNA) where: Base-Base interactions energy: -1651.048 where: short stacking energy: -705.734 Base-Backbone interact. energy: -6.286 local terms energy: -799.068730 where: bonds (distance) C4'-P energy: -163.291 bonds (distance) P-C4' energy: -153.733 flat angles C4'-P-C4' energy: -177.251 flat angles P-C4'-P energy: -113.807 tors. eta vs tors. theta energy: -190.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2144.156369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.156369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.156369 (E_RNA) where: Base-Base interactions energy: -1384.308 where: short stacking energy: -650.174 Base-Backbone interact. energy: -6.201 local terms energy: -753.647708 where: bonds (distance) C4'-P energy: -145.379 bonds (distance) P-C4' energy: -163.581 flat angles C4'-P-C4' energy: -161.794 flat angles P-C4'-P energy: -122.777 tors. eta vs tors. theta energy: -160.117 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: 4 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1946.511652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.511652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.511652 (E_RNA) where: Base-Base interactions energy: -1229.898 where: short stacking energy: -575.262 Base-Backbone interact. energy: 1.195 local terms energy: -717.808663 where: bonds (distance) C4'-P energy: -151.583 bonds (distance) P-C4' energy: -154.682 flat angles C4'-P-C4' energy: -170.011 flat angles P-C4'-P energy: -104.697 tors. eta vs tors. theta energy: -136.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1827.391014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.391014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.391014 (E_RNA) where: Base-Base interactions energy: -1193.155 where: short stacking energy: -535.552 Base-Backbone interact. energy: -4.754 local terms energy: -629.481275 where: bonds (distance) C4'-P energy: -131.504 bonds (distance) P-C4' energy: -140.938 flat angles C4'-P-C4' energy: -151.793 flat angles P-C4'-P energy: -101.674 tors. eta vs tors. theta energy: -103.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1697.707442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.707442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.707442 (E_RNA) where: Base-Base interactions energy: -1057.295 where: short stacking energy: -499.448 Base-Backbone interact. energy: -3.153 local terms energy: -637.259145 where: bonds (distance) C4'-P energy: -145.666 bonds (distance) P-C4' energy: -139.899 flat angles C4'-P-C4' energy: -162.883 flat angles P-C4'-P energy: -95.332 tors. eta vs tors. theta energy: -93.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1437.797044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.797044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.797044 (E_RNA) where: Base-Base interactions energy: -845.856 where: short stacking energy: -432.567 Base-Backbone interact. energy: -0.214 local terms energy: -591.726756 where: bonds (distance) C4'-P energy: -146.166 bonds (distance) P-C4' energy: -133.592 flat angles C4'-P-C4' energy: -148.970 flat angles P-C4'-P energy: -86.034 tors. eta vs tors. theta energy: -76.965 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: 1 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1216.672859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.672859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.672859 (E_RNA) where: Base-Base interactions energy: -668.985 where: short stacking energy: -348.265 Base-Backbone interact. energy: -2.106 local terms energy: -545.582213 where: bonds (distance) C4'-P energy: -147.230 bonds (distance) P-C4' energy: -146.607 flat angles C4'-P-C4' energy: -117.630 flat angles P-C4'-P energy: -91.423 tors. eta vs tors. theta energy: -42.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -820.478970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.478970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.478970 (E_RNA) where: Base-Base interactions energy: -367.860 where: short stacking energy: -213.273 Base-Backbone interact. energy: -1.545 local terms energy: -451.074435 where: bonds (distance) C4'-P energy: -117.520 bonds (distance) P-C4' energy: -142.931 flat angles C4'-P-C4' energy: -119.355 flat angles P-C4'-P energy: -84.715 tors. eta vs tors. theta energy: 13.446 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: 8 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -720.489816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.489816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.489816 (E_RNA) where: Base-Base interactions energy: -325.839 where: short stacking energy: -220.526 Base-Backbone interact. energy: -0.486 local terms energy: -394.165112 where: bonds (distance) C4'-P energy: -103.234 bonds (distance) P-C4' energy: -126.599 flat angles C4'-P-C4' energy: -99.101 flat angles P-C4'-P energy: -71.103 tors. eta vs tors. theta energy: 5.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2590.648117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.648117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.648117 (E_RNA) where: Base-Base interactions energy: -1749.171 where: short stacking energy: -793.624 Base-Backbone interact. energy: -1.889 local terms energy: -839.588265 where: bonds (distance) C4'-P energy: -161.361 bonds (distance) P-C4' energy: -158.047 flat angles C4'-P-C4' energy: -186.228 flat angles P-C4'-P energy: -118.787 tors. eta vs tors. theta energy: -215.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2455.641252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.641252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.641252 (E_RNA) where: Base-Base interactions energy: -1656.436 where: short stacking energy: -723.687 Base-Backbone interact. energy: 3.336 local terms energy: -802.541999 where: bonds (distance) C4'-P energy: -166.409 bonds (distance) P-C4' energy: -147.257 flat angles C4'-P-C4' energy: -181.047 flat angles P-C4'-P energy: -108.126 tors. eta vs tors. theta energy: -199.704 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: 86 Temperature: 1.000000 Total energy: -2167.740357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.740357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.740357 (E_RNA) where: Base-Base interactions energy: -1417.466 where: short stacking energy: -649.247 Base-Backbone interact. energy: 1.741 local terms energy: -752.015874 where: bonds (distance) C4'-P energy: -144.994 bonds (distance) P-C4' energy: -151.130 flat angles C4'-P-C4' energy: -176.001 flat angles P-C4'-P energy: -102.789 tors. eta vs tors. theta energy: -177.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1913.280598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.280598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.280598 (E_RNA) where: Base-Base interactions energy: -1248.922 where: short stacking energy: -591.039 Base-Backbone interact. energy: 2.002 local terms energy: -666.360442 where: bonds (distance) C4'-P energy: -149.564 bonds (distance) P-C4' energy: -148.521 flat angles C4'-P-C4' energy: -153.149 flat angles P-C4'-P energy: -80.085 tors. eta vs tors. theta energy: -135.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1810.676627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.676627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.676627 (E_RNA) where: Base-Base interactions energy: -1170.628 where: short stacking energy: -523.064 Base-Backbone interact. energy: 1.102 local terms energy: -641.150081 where: bonds (distance) C4'-P energy: -161.496 bonds (distance) P-C4' energy: -146.986 flat angles C4'-P-C4' energy: -141.409 flat angles P-C4'-P energy: -91.754 tors. eta vs tors. theta energy: -99.505 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: 9 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1678.887852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.887852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.887852 (E_RNA) where: Base-Base interactions energy: -1043.625 where: short stacking energy: -494.852 Base-Backbone interact. energy: -0.733 local terms energy: -634.529020 where: bonds (distance) C4'-P energy: -141.995 bonds (distance) P-C4' energy: -146.243 flat angles C4'-P-C4' energy: -155.752 flat angles P-C4'-P energy: -93.284 tors. eta vs tors. theta energy: -97.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1407.292001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.292001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.292001 (E_RNA) where: Base-Base interactions energy: -822.448 where: short stacking energy: -436.127 Base-Backbone interact. energy: 1.794 local terms energy: -586.637421 where: bonds (distance) C4'-P energy: -138.641 bonds (distance) P-C4' energy: -133.089 flat angles C4'-P-C4' energy: -140.152 flat angles P-C4'-P energy: -97.589 tors. eta vs tors. theta energy: -77.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1344.575861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.575861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.575861 (E_RNA) where: Base-Base interactions energy: -840.094 where: short stacking energy: -402.689 Base-Backbone interact. energy: 0.947 local terms energy: -505.429178 where: bonds (distance) C4'-P energy: -112.089 bonds (distance) P-C4' energy: -148.077 flat angles C4'-P-C4' energy: -133.499 flat angles P-C4'-P energy: -71.155 tors. eta vs tors. theta energy: -40.610 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: 8 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -760.817983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.817983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.817983 (E_RNA) where: Base-Base interactions energy: -337.199 where: short stacking energy: -229.828 Base-Backbone interact. energy: 1.765 local terms energy: -425.384288 where: bonds (distance) C4'-P energy: -124.002 bonds (distance) P-C4' energy: -137.225 flat angles C4'-P-C4' energy: -75.360 flat angles P-C4'-P energy: -87.634 tors. eta vs tors. theta energy: -1.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -775.601386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.601386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.601386 (E_RNA) where: Base-Base interactions energy: -349.630 where: short stacking energy: -231.938 Base-Backbone interact. energy: -1.756 local terms energy: -424.214906 where: bonds (distance) C4'-P energy: -126.740 bonds (distance) P-C4' energy: -135.065 flat angles C4'-P-C4' energy: -111.152 flat angles P-C4'-P energy: -53.389 tors. eta vs tors. theta energy: 2.130 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: 87 Temperature: 0.900000 Total energy: -2587.500237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.500237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.500237 (E_RNA) where: Base-Base interactions energy: -1725.167 where: short stacking energy: -765.323 Base-Backbone interact. energy: -4.535 local terms energy: -857.798245 where: bonds (distance) C4'-P energy: -158.724 bonds (distance) P-C4' energy: -167.939 flat angles C4'-P-C4' energy: -191.896 flat angles P-C4'-P energy: -122.554 tors. eta vs tors. theta energy: -216.685 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: 3 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2475.439388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.439388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.439388 (E_RNA) where: Base-Base interactions energy: -1659.410 where: short stacking energy: -718.638 Base-Backbone interact. energy: -1.665 local terms energy: -814.364175 where: bonds (distance) C4'-P energy: -154.683 bonds (distance) P-C4' energy: -170.774 flat angles C4'-P-C4' energy: -166.132 flat angles P-C4'-P energy: -118.795 tors. eta vs tors. theta energy: -203.980 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: 87 Temperature: 1.000000 Total energy: -2167.958410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.958410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.958410 (E_RNA) where: Base-Base interactions energy: -1435.444 where: short stacking energy: -623.889 Base-Backbone interact. energy: -0.326 local terms energy: -732.188575 where: bonds (distance) C4'-P energy: -144.582 bonds (distance) P-C4' energy: -162.463 flat angles C4'-P-C4' energy: -159.483 flat angles P-C4'-P energy: -107.979 tors. eta vs tors. theta energy: -157.682 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: 4 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1946.622753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.622753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.622753 (E_RNA) where: Base-Base interactions energy: -1261.476 where: short stacking energy: -602.616 Base-Backbone interact. energy: 2.006 local terms energy: -687.152522 where: bonds (distance) C4'-P energy: -150.432 bonds (distance) P-C4' energy: -143.548 flat angles C4'-P-C4' energy: -157.375 flat angles P-C4'-P energy: -97.707 tors. eta vs tors. theta energy: -138.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1783.007359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.007359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.007359 (E_RNA) where: Base-Base interactions energy: -1145.727 where: short stacking energy: -515.364 Base-Backbone interact. energy: -2.956 local terms energy: -634.324030 where: bonds (distance) C4'-P energy: -145.251 bonds (distance) P-C4' energy: -143.336 flat angles C4'-P-C4' energy: -152.030 flat angles P-C4'-P energy: -79.914 tors. eta vs tors. theta energy: -113.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1724.187069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.187069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.187069 (E_RNA) where: Base-Base interactions energy: -1087.957 where: short stacking energy: -500.831 Base-Backbone interact. energy: -0.344 local terms energy: -635.886712 where: bonds (distance) C4'-P energy: -124.950 bonds (distance) P-C4' energy: -139.780 flat angles C4'-P-C4' energy: -157.912 flat angles P-C4'-P energy: -91.482 tors. eta vs tors. theta energy: -121.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1436.662692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.662692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.662692 (E_RNA) where: Base-Base interactions energy: -859.824 where: short stacking energy: -397.070 Base-Backbone interact. energy: -3.954 local terms energy: -572.884213 where: bonds (distance) C4'-P energy: -132.489 bonds (distance) P-C4' energy: -138.544 flat angles C4'-P-C4' energy: -151.017 flat angles P-C4'-P energy: -87.065 tors. eta vs tors. theta energy: -63.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1448.416436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.416436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.416436 (E_RNA) where: Base-Base interactions energy: -881.181 where: short stacking energy: -425.045 Base-Backbone interact. energy: -0.829 local terms energy: -566.406414 where: bonds (distance) C4'-P energy: -115.880 bonds (distance) P-C4' energy: -134.600 flat angles C4'-P-C4' energy: -126.680 flat angles P-C4'-P energy: -97.432 tors. eta vs tors. theta energy: -91.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -756.808433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.808433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.808433 (E_RNA) where: Base-Base interactions energy: -302.873 where: short stacking energy: -207.142 Base-Backbone interact. energy: 3.708 local terms energy: -457.644236 where: bonds (distance) C4'-P energy: -126.618 bonds (distance) P-C4' energy: -138.516 flat angles C4'-P-C4' energy: -141.963 flat angles P-C4'-P energy: -62.521 tors. eta vs tors. theta energy: 11.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -776.811594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.811594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.811594 (E_RNA) where: Base-Base interactions energy: -363.680 where: short stacking energy: -205.759 Base-Backbone interact. energy: 7.643 local terms energy: -420.774323 where: bonds (distance) C4'-P energy: -127.161 bonds (distance) P-C4' energy: -148.675 flat angles C4'-P-C4' energy: -110.179 flat angles P-C4'-P energy: -63.902 tors. eta vs tors. theta energy: 29.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2613.157829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.157829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.157829 (E_RNA) where: Base-Base interactions energy: -1758.507 where: short stacking energy: -785.954 Base-Backbone interact. energy: -2.897 local terms energy: -851.753471 where: bonds (distance) C4'-P energy: -157.900 bonds (distance) P-C4' energy: -165.900 flat angles C4'-P-C4' energy: -182.630 flat angles P-C4'-P energy: -123.286 tors. eta vs tors. theta energy: -222.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2499.053930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.053930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.053930 (E_RNA) where: Base-Base interactions energy: -1665.579 where: short stacking energy: -726.828 Base-Backbone interact. energy: -1.923 local terms energy: -831.552559 where: bonds (distance) C4'-P energy: -156.978 bonds (distance) P-C4' energy: -160.754 flat angles C4'-P-C4' energy: -183.607 flat angles P-C4'-P energy: -123.536 tors. eta vs tors. theta energy: -206.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2164.790030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.790030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.790030 (E_RNA) where: Base-Base interactions energy: -1428.845 where: short stacking energy: -640.577 Base-Backbone interact. energy: -2.086 local terms energy: -733.858453 where: bonds (distance) C4'-P energy: -138.105 bonds (distance) P-C4' energy: -145.463 flat angles C4'-P-C4' energy: -179.346 flat angles P-C4'-P energy: -98.533 tors. eta vs tors. theta energy: -172.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1877.811201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.811201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.811201 (E_RNA) where: Base-Base interactions energy: -1168.935 where: short stacking energy: -582.729 Base-Backbone interact. energy: -2.872 local terms energy: -706.003435 where: bonds (distance) C4'-P energy: -142.400 bonds (distance) P-C4' energy: -160.659 flat angles C4'-P-C4' energy: -167.798 flat angles P-C4'-P energy: -94.096 tors. eta vs tors. theta energy: -141.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1809.548639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.548639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.548639 (E_RNA) where: Base-Base interactions energy: -1172.839 where: short stacking energy: -544.095 Base-Backbone interact. energy: 1.060 local terms energy: -637.769602 where: bonds (distance) C4'-P energy: -126.878 bonds (distance) P-C4' energy: -145.073 flat angles C4'-P-C4' energy: -146.222 flat angles P-C4'-P energy: -100.436 tors. eta vs tors. theta energy: -119.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1675.749195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.749195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.749195 (E_RNA) where: Base-Base interactions energy: -1056.327 where: short stacking energy: -463.413 Base-Backbone interact. energy: -2.066 local terms energy: -617.356263 where: bonds (distance) C4'-P energy: -128.442 bonds (distance) P-C4' energy: -136.507 flat angles C4'-P-C4' energy: -162.938 flat angles P-C4'-P energy: -99.108 tors. eta vs tors. theta energy: -90.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1471.943113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.943113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.943113 (E_RNA) where: Base-Base interactions energy: -910.572 where: short stacking energy: -432.556 Base-Backbone interact. energy: -3.104 local terms energy: -558.266118 where: bonds (distance) C4'-P energy: -129.844 bonds (distance) P-C4' energy: -141.129 flat angles C4'-P-C4' energy: -134.784 flat angles P-C4'-P energy: -79.950 tors. eta vs tors. theta energy: -72.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1398.229540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.229540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.229540 (E_RNA) where: Base-Base interactions energy: -864.371 where: short stacking energy: -404.468 Base-Backbone interact. energy: 5.703 local terms energy: -539.561266 where: bonds (distance) C4'-P energy: -115.281 bonds (distance) P-C4' energy: -146.876 flat angles C4'-P-C4' energy: -130.790 flat angles P-C4'-P energy: -83.074 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: 8 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -769.433522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.433522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.433522 (E_RNA) where: Base-Base interactions energy: -343.810 where: short stacking energy: -231.958 Base-Backbone interact. energy: -0.303 local terms energy: -425.320733 where: bonds (distance) C4'-P energy: -121.980 bonds (distance) P-C4' energy: -125.145 flat angles C4'-P-C4' energy: -102.836 flat angles P-C4'-P energy: -77.235 tors. eta vs tors. theta energy: 1.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -745.204222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.204222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.204222 (E_RNA) where: Base-Base interactions energy: -330.723 where: short stacking energy: -200.502 Base-Backbone interact. energy: -1.486 local terms energy: -412.995549 where: bonds (distance) C4'-P energy: -122.493 bonds (distance) P-C4' energy: -132.346 flat angles C4'-P-C4' energy: -123.012 flat angles P-C4'-P energy: -64.737 tors. eta vs tors. theta energy: 29.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2596.727957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.727957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.727957 (E_RNA) where: Base-Base interactions energy: -1780.489 where: short stacking energy: -806.820 Base-Backbone interact. energy: -2.038 local terms energy: -814.201046 where: bonds (distance) C4'-P energy: -148.580 bonds (distance) P-C4' energy: -169.983 flat angles C4'-P-C4' energy: -168.846 flat angles P-C4'-P energy: -114.768 tors. eta vs tors. theta energy: -212.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2480.554081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.554081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.554081 (E_RNA) where: Base-Base interactions energy: -1649.691 where: short stacking energy: -744.037 Base-Backbone interact. energy: 1.635 local terms energy: -832.498077 where: bonds (distance) C4'-P energy: -164.216 bonds (distance) P-C4' energy: -164.911 flat angles C4'-P-C4' energy: -191.331 flat angles P-C4'-P energy: -109.481 tors. eta vs tors. theta energy: -202.559 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: 10 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2200.328169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.328169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.328169 (E_RNA) where: Base-Base interactions energy: -1437.219 where: short stacking energy: -648.107 Base-Backbone interact. energy: -4.593 local terms energy: -758.516553 where: bonds (distance) C4'-P energy: -163.453 bonds (distance) P-C4' energy: -146.798 flat angles C4'-P-C4' energy: -170.772 flat angles P-C4'-P energy: -108.836 tors. eta vs tors. theta energy: -168.658 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: 4, replica: 4 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1932.706919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.706919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.706919 (E_RNA) where: Base-Base interactions energy: -1226.792 where: short stacking energy: -561.604 Base-Backbone interact. energy: -0.872 local terms energy: -705.042453 where: bonds (distance) C4'-P energy: -154.727 bonds (distance) P-C4' energy: -149.291 flat angles C4'-P-C4' energy: -155.492 flat angles P-C4'-P energy: -95.927 tors. eta vs tors. theta energy: -149.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1842.933670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.933670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.933670 (E_RNA) where: Base-Base interactions energy: -1155.805 where: short stacking energy: -540.875 Base-Backbone interact. energy: -3.336 local terms energy: -683.792022 where: bonds (distance) C4'-P energy: -147.084 bonds (distance) P-C4' energy: -161.497 flat angles C4'-P-C4' energy: -162.773 flat angles P-C4'-P energy: -106.806 tors. eta vs tors. theta energy: -105.632 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: 6, replica: 2 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1654.796462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.796462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.796462 (E_RNA) where: Base-Base interactions energy: -1056.281 where: short stacking energy: -475.065 Base-Backbone interact. energy: -2.016 local terms energy: -596.499358 where: bonds (distance) C4'-P energy: -153.127 bonds (distance) P-C4' energy: -126.905 flat angles C4'-P-C4' energy: -150.824 flat angles P-C4'-P energy: -81.637 tors. eta vs tors. theta energy: -84.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1422.451985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.451985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.451985 (E_RNA) where: Base-Base interactions energy: -857.897 where: short stacking energy: -399.926 Base-Backbone interact. energy: 2.844 local terms energy: -567.399662 where: bonds (distance) C4'-P energy: -129.699 bonds (distance) P-C4' energy: -151.273 flat angles C4'-P-C4' energy: -146.545 flat angles P-C4'-P energy: -93.936 tors. eta vs tors. theta energy: -45.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1463.587254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.587254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.587254 (E_RNA) where: Base-Base interactions energy: -925.411 where: short stacking energy: -421.679 Base-Backbone interact. energy: -1.811 local terms energy: -536.364726 where: bonds (distance) C4'-P energy: -125.817 bonds (distance) P-C4' energy: -120.426 flat angles C4'-P-C4' energy: -138.445 flat angles P-C4'-P energy: -62.638 tors. eta vs tors. theta energy: -89.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -757.834731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.834731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.834731 (E_RNA) where: Base-Base interactions energy: -319.489 where: short stacking energy: -232.038 Base-Backbone interact. energy: -0.844 local terms energy: -437.501560 where: bonds (distance) C4'-P energy: -122.714 bonds (distance) P-C4' energy: -125.593 flat angles C4'-P-C4' energy: -128.475 flat angles P-C4'-P energy: -70.660 tors. eta vs tors. theta energy: 9.941 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: 7 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -737.937596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.937596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.937596 (E_RNA) where: Base-Base interactions energy: -329.308 where: short stacking energy: -182.062 Base-Backbone interact. energy: 0.377 local terms energy: -409.005911 where: bonds (distance) C4'-P energy: -122.373 bonds (distance) P-C4' energy: -150.927 flat angles C4'-P-C4' energy: -107.924 flat angles P-C4'-P energy: -48.635 tors. eta vs tors. theta energy: 20.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2598.913733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.913733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.913733 (E_RNA) where: Base-Base interactions energy: -1744.729 where: short stacking energy: -782.372 Base-Backbone interact. energy: -0.845 local terms energy: -853.339756 where: bonds (distance) C4'-P energy: -170.340 bonds (distance) P-C4' energy: -158.896 flat angles C4'-P-C4' energy: -180.520 flat angles P-C4'-P energy: -124.506 tors. eta vs tors. theta energy: -219.078 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: 3 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2470.998256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.998256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.998256 (E_RNA) where: Base-Base interactions energy: -1651.858 where: short stacking energy: -742.595 Base-Backbone interact. energy: 1.190 local terms energy: -820.329620 where: bonds (distance) C4'-P energy: -155.850 bonds (distance) P-C4' energy: -161.243 flat angles C4'-P-C4' energy: -174.378 flat angles P-C4'-P energy: -110.597 tors. eta vs tors. theta energy: -218.262 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: 3, replica: 10 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2218.582773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.582773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.582773 (E_RNA) where: Base-Base interactions energy: -1477.239 where: short stacking energy: -643.737 Base-Backbone interact. energy: -3.339 local terms energy: -738.004129 where: bonds (distance) C4'-P energy: -151.176 bonds (distance) P-C4' energy: -165.009 flat angles C4'-P-C4' energy: -171.599 flat angles P-C4'-P energy: -86.155 tors. eta vs tors. theta energy: -164.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1919.525246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.525246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.525246 (E_RNA) where: Base-Base interactions energy: -1205.217 where: short stacking energy: -574.247 Base-Backbone interact. energy: 3.861 local terms energy: -718.169024 where: bonds (distance) C4'-P energy: -145.619 bonds (distance) P-C4' energy: -151.120 flat angles C4'-P-C4' energy: -168.689 flat angles P-C4'-P energy: -110.391 tors. eta vs tors. theta energy: -142.349 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: 9 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1833.095325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.095325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.095325 (E_RNA) where: Base-Base interactions energy: -1158.445 where: short stacking energy: -533.182 Base-Backbone interact. energy: 7.388 local terms energy: -682.038399 where: bonds (distance) C4'-P energy: -154.087 bonds (distance) P-C4' energy: -158.830 flat angles C4'-P-C4' energy: -134.907 flat angles P-C4'-P energy: -106.819 tors. eta vs tors. theta energy: -127.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1752.938615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.938615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.938615 (E_RNA) where: Base-Base interactions energy: -1122.747 where: short stacking energy: -509.511 Base-Backbone interact. energy: 8.368 local terms energy: -638.559771 where: bonds (distance) C4'-P energy: -136.988 bonds (distance) P-C4' energy: -157.716 flat angles C4'-P-C4' energy: -143.696 flat angles P-C4'-P energy: -87.784 tors. eta vs tors. theta energy: -112.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1563.119516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.119516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.119516 (E_RNA) where: Base-Base interactions energy: -938.002 where: short stacking energy: -463.887 Base-Backbone interact. energy: 0.182 local terms energy: -625.299135 where: bonds (distance) C4'-P energy: -129.255 bonds (distance) P-C4' energy: -144.917 flat angles C4'-P-C4' energy: -151.647 flat angles P-C4'-P energy: -88.136 tors. eta vs tors. theta energy: -111.343 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: 5 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1356.798130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.798130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.798130 (E_RNA) where: Base-Base interactions energy: -822.230 where: short stacking energy: -402.189 Base-Backbone interact. energy: -2.590 local terms energy: -531.977773 where: bonds (distance) C4'-P energy: -122.556 bonds (distance) P-C4' energy: -143.428 flat angles C4'-P-C4' energy: -131.200 flat angles P-C4'-P energy: -83.822 tors. eta vs tors. theta energy: -50.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -728.811147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.811147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.811147 (E_RNA) where: Base-Base interactions energy: -276.707 where: short stacking energy: -199.096 Base-Backbone interact. energy: 1.224 local terms energy: -453.327893 where: bonds (distance) C4'-P energy: -121.179 bonds (distance) P-C4' energy: -157.379 flat angles C4'-P-C4' energy: -134.364 flat angles P-C4'-P energy: -58.817 tors. eta vs tors. theta energy: 18.410 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: 7 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -692.181196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.181196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.181196 (E_RNA) where: Base-Base interactions energy: -275.699 where: short stacking energy: -212.157 Base-Backbone interact. energy: 0.913 local terms energy: -417.395134 where: bonds (distance) C4'-P energy: -110.521 bonds (distance) P-C4' energy: -129.617 flat angles C4'-P-C4' energy: -112.523 flat angles P-C4'-P energy: -70.301 tors. eta vs tors. theta energy: 5.567 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: 91 Temperature: 0.900000 Total energy: -2602.810013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.810013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.810013 (E_RNA) where: Base-Base interactions energy: -1785.445 where: short stacking energy: -796.568 Base-Backbone interact. energy: -1.845 local terms energy: -815.520188 where: bonds (distance) C4'-P energy: -161.907 bonds (distance) P-C4' energy: -152.640 flat angles C4'-P-C4' energy: -167.317 flat angles P-C4'-P energy: -114.144 tors. eta vs tors. theta energy: -219.512 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: 3 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2520.338774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.338774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.338774 (E_RNA) where: Base-Base interactions energy: -1683.338 where: short stacking energy: -722.849 Base-Backbone interact. energy: -3.561 local terms energy: -833.439616 where: bonds (distance) C4'-P energy: -163.417 bonds (distance) P-C4' energy: -166.686 flat angles C4'-P-C4' energy: -182.544 flat angles P-C4'-P energy: -112.400 tors. eta vs tors. theta energy: -208.392 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: 10 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2236.921779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.921779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.921779 (E_RNA) where: Base-Base interactions energy: -1489.381 where: short stacking energy: -687.394 Base-Backbone interact. energy: -2.472 local terms energy: -745.068310 where: bonds (distance) C4'-P energy: -136.926 bonds (distance) P-C4' energy: -147.799 flat angles C4'-P-C4' energy: -160.307 flat angles P-C4'-P energy: -123.498 tors. eta vs tors. theta energy: -176.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1909.261095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.261095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.261095 (E_RNA) where: Base-Base interactions energy: -1227.514 where: short stacking energy: -571.231 Base-Backbone interact. energy: 1.958 local terms energy: -683.705508 where: bonds (distance) C4'-P energy: -145.793 bonds (distance) P-C4' energy: -145.576 flat angles C4'-P-C4' energy: -156.660 flat angles P-C4'-P energy: -101.120 tors. eta vs tors. theta energy: -134.556 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: 4 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1869.990363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.990363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.990363 (E_RNA) where: Base-Base interactions energy: -1206.653 where: short stacking energy: -533.270 Base-Backbone interact. energy: 0.547 local terms energy: -663.884553 where: bonds (distance) C4'-P energy: -148.476 bonds (distance) P-C4' energy: -152.926 flat angles C4'-P-C4' energy: -158.452 flat angles P-C4'-P energy: -77.123 tors. eta vs tors. theta energy: -126.908 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: 2 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1747.090595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.090595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.090595 (E_RNA) where: Base-Base interactions energy: -1109.604 where: short stacking energy: -537.249 Base-Backbone interact. energy: -2.173 local terms energy: -635.313496 where: bonds (distance) C4'-P energy: -138.732 bonds (distance) P-C4' energy: -148.254 flat angles C4'-P-C4' energy: -152.481 flat angles P-C4'-P energy: -80.849 tors. eta vs tors. theta energy: -114.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1565.731961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.731961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.731961 (E_RNA) where: Base-Base interactions energy: -940.195 where: short stacking energy: -454.009 Base-Backbone interact. energy: 0.077 local terms energy: -625.613646 where: bonds (distance) C4'-P energy: -144.021 bonds (distance) P-C4' energy: -138.468 flat angles C4'-P-C4' energy: -138.968 flat angles P-C4'-P energy: -103.782 tors. eta vs tors. theta energy: -100.376 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: 5 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1377.747812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.747812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.747812 (E_RNA) where: Base-Base interactions energy: -850.015 where: short stacking energy: -401.781 Base-Backbone interact. energy: -0.756 local terms energy: -526.976537 where: bonds (distance) C4'-P energy: -138.086 bonds (distance) P-C4' energy: -113.757 flat angles C4'-P-C4' energy: -128.623 flat angles P-C4'-P energy: -75.081 tors. eta vs tors. theta energy: -71.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -799.929848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.929848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.929848 (E_RNA) where: Base-Base interactions energy: -347.771 where: short stacking energy: -218.803 Base-Backbone interact. energy: -4.882 local terms energy: -447.277218 where: bonds (distance) C4'-P energy: -116.841 bonds (distance) P-C4' energy: -139.789 flat angles C4'-P-C4' energy: -109.598 flat angles P-C4'-P energy: -88.248 tors. eta vs tors. theta energy: 7.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -759.636818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.636818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.636818 (E_RNA) where: Base-Base interactions energy: -369.078 where: short stacking energy: -243.327 Base-Backbone interact. energy: -0.168 local terms energy: -390.390503 where: bonds (distance) C4'-P energy: -119.050 bonds (distance) P-C4' energy: -118.166 flat angles C4'-P-C4' energy: -105.891 flat angles P-C4'-P energy: -55.159 tors. eta vs tors. theta energy: 7.876 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: 92 Temperature: 0.900000 Total energy: -2623.668807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.668807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.668807 (E_RNA) where: Base-Base interactions energy: -1785.715 where: short stacking energy: -801.551 Base-Backbone interact. energy: -6.307 local terms energy: -831.646329 where: bonds (distance) C4'-P energy: -156.757 bonds (distance) P-C4' energy: -150.252 flat angles C4'-P-C4' energy: -172.802 flat angles P-C4'-P energy: -123.697 tors. eta vs tors. theta energy: -228.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2516.121211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.121211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.121211 (E_RNA) where: Base-Base interactions energy: -1695.207 where: short stacking energy: -760.990 Base-Backbone interact. energy: -0.074 local terms energy: -820.839875 where: bonds (distance) C4'-P energy: -154.643 bonds (distance) P-C4' energy: -159.446 flat angles C4'-P-C4' energy: -172.417 flat angles P-C4'-P energy: -113.220 tors. eta vs tors. theta energy: -221.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2260.206459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.206459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.206459 (E_RNA) where: Base-Base interactions energy: -1501.356 where: short stacking energy: -692.417 Base-Backbone interact. energy: 4.923 local terms energy: -763.773472 where: bonds (distance) C4'-P energy: -140.874 bonds (distance) P-C4' energy: -168.865 flat angles C4'-P-C4' energy: -165.996 flat angles P-C4'-P energy: -111.948 tors. eta vs tors. theta energy: -176.090 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: 9 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1958.399636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.399636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.399636 (E_RNA) where: Base-Base interactions energy: -1257.430 where: short stacking energy: -606.161 Base-Backbone interact. energy: 0.051 local terms energy: -701.020009 where: bonds (distance) C4'-P energy: -147.743 bonds (distance) P-C4' energy: -146.664 flat angles C4'-P-C4' energy: -162.863 flat angles P-C4'-P energy: -96.127 tors. eta vs tors. theta energy: -147.623 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: 4 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1781.175873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.175873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.175873 (E_RNA) where: Base-Base interactions energy: -1148.592 where: short stacking energy: -529.746 Base-Backbone interact. energy: 0.477 local terms energy: -633.060285 where: bonds (distance) C4'-P energy: -147.361 bonds (distance) P-C4' energy: -148.814 flat angles C4'-P-C4' energy: -152.140 flat angles P-C4'-P energy: -72.071 tors. eta vs tors. theta energy: -112.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1690.539750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.539750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.539750 (E_RNA) where: Base-Base interactions energy: -1055.315 where: short stacking energy: -502.259 Base-Backbone interact. energy: 1.879 local terms energy: -637.103872 where: bonds (distance) C4'-P energy: -142.236 bonds (distance) P-C4' energy: -153.937 flat angles C4'-P-C4' energy: -164.163 flat angles P-C4'-P energy: -76.147 tors. eta vs tors. theta energy: -100.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1539.132529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.132529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.132529 (E_RNA) where: Base-Base interactions energy: -950.422 where: short stacking energy: -448.761 Base-Backbone interact. energy: 1.221 local terms energy: -589.931015 where: bonds (distance) C4'-P energy: -138.330 bonds (distance) P-C4' energy: -150.726 flat angles C4'-P-C4' energy: -137.407 flat angles P-C4'-P energy: -94.875 tors. eta vs tors. theta energy: -68.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1359.401781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.401781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.401781 (E_RNA) where: Base-Base interactions energy: -837.665 where: short stacking energy: -398.483 Base-Backbone interact. energy: 4.646 local terms energy: -526.382786 where: bonds (distance) C4'-P energy: -121.381 bonds (distance) P-C4' energy: -127.251 flat angles C4'-P-C4' energy: -120.931 flat angles P-C4'-P energy: -84.118 tors. eta vs tors. theta energy: -72.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -781.629766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.629766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.629766 (E_RNA) where: Base-Base interactions energy: -353.820 where: short stacking energy: -253.904 Base-Backbone interact. energy: 6.623 local terms energy: -434.433359 where: bonds (distance) C4'-P energy: -130.700 bonds (distance) P-C4' energy: -124.284 flat angles C4'-P-C4' energy: -139.412 flat angles P-C4'-P energy: -63.911 tors. eta vs tors. theta energy: 23.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -716.080301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.080301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.080301 (E_RNA) where: Base-Base interactions energy: -335.742 where: short stacking energy: -240.296 Base-Backbone interact. energy: 13.034 local terms energy: -393.371733 where: bonds (distance) C4'-P energy: -109.827 bonds (distance) P-C4' energy: -129.890 flat angles C4'-P-C4' energy: -116.163 flat angles P-C4'-P energy: -46.263 tors. eta vs tors. theta energy: 8.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2609.587748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.587748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.587748 (E_RNA) where: Base-Base interactions energy: -1754.914 where: short stacking energy: -773.960 Base-Backbone interact. energy: -5.379 local terms energy: -849.295347 where: bonds (distance) C4'-P energy: -175.584 bonds (distance) P-C4' energy: -170.826 flat angles C4'-P-C4' energy: -172.335 flat angles P-C4'-P energy: -106.951 tors. eta vs tors. theta energy: -223.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2523.721878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.721878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.721878 (E_RNA) where: Base-Base interactions energy: -1722.660 where: short stacking energy: -748.497 Base-Backbone interact. energy: 0.193 local terms energy: -801.255072 where: bonds (distance) C4'-P energy: -139.414 bonds (distance) P-C4' energy: -157.549 flat angles C4'-P-C4' energy: -174.733 flat angles P-C4'-P energy: -107.953 tors. eta vs tors. theta energy: -221.606 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: 10 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2189.014061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.014061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.014061 (E_RNA) where: Base-Base interactions energy: -1462.165 where: short stacking energy: -635.977 Base-Backbone interact. energy: -0.245 local terms energy: -726.603488 where: bonds (distance) C4'-P energy: -154.543 bonds (distance) P-C4' energy: -140.983 flat angles C4'-P-C4' energy: -142.441 flat angles P-C4'-P energy: -124.473 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: 4, replica: 9 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2002.989169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.989169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.989169 (E_RNA) where: Base-Base interactions energy: -1308.542 where: short stacking energy: -593.988 Base-Backbone interact. energy: -1.300 local terms energy: -693.146762 where: bonds (distance) C4'-P energy: -131.883 bonds (distance) P-C4' energy: -154.109 flat angles C4'-P-C4' energy: -155.340 flat angles P-C4'-P energy: -110.716 tors. eta vs tors. theta energy: -141.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1798.257390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.257390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.257390 (E_RNA) where: Base-Base interactions energy: -1118.889 where: short stacking energy: -517.167 Base-Backbone interact. energy: -1.075 local terms energy: -678.292891 where: bonds (distance) C4'-P energy: -144.753 bonds (distance) P-C4' energy: -159.997 flat angles C4'-P-C4' energy: -170.572 flat angles P-C4'-P energy: -96.283 tors. eta vs tors. theta energy: -106.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1677.564763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.564763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.564763 (E_RNA) where: Base-Base interactions energy: -1079.948 where: short stacking energy: -502.423 Base-Backbone interact. energy: -2.913 local terms energy: -594.704004 where: bonds (distance) C4'-P energy: -125.756 bonds (distance) P-C4' energy: -146.664 flat angles C4'-P-C4' energy: -142.735 flat angles P-C4'-P energy: -97.719 tors. eta vs tors. theta energy: -81.829 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: 1 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1540.247242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.247242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.247242 (E_RNA) where: Base-Base interactions energy: -956.667 where: short stacking energy: -438.933 Base-Backbone interact. energy: 0.535 local terms energy: -584.114983 where: bonds (distance) C4'-P energy: -141.563 bonds (distance) P-C4' energy: -157.019 flat angles C4'-P-C4' energy: -133.657 flat angles P-C4'-P energy: -76.804 tors. eta vs tors. theta energy: -75.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1351.308510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.308510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.308510 (E_RNA) where: Base-Base interactions energy: -808.630 where: short stacking energy: -350.330 Base-Backbone interact. energy: -0.449 local terms energy: -542.230394 where: bonds (distance) C4'-P energy: -125.639 bonds (distance) P-C4' energy: -150.269 flat angles C4'-P-C4' energy: -128.626 flat angles P-C4'-P energy: -81.880 tors. eta vs tors. theta energy: -55.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -822.396224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.396224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.396224 (E_RNA) where: Base-Base interactions energy: -381.366 where: short stacking energy: -233.500 Base-Backbone interact. energy: -0.177 local terms energy: -440.853638 where: bonds (distance) C4'-P energy: -125.852 bonds (distance) P-C4' energy: -135.389 flat angles C4'-P-C4' energy: -129.197 flat angles P-C4'-P energy: -68.787 tors. eta vs tors. theta energy: 18.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -678.206086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.206086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.206086 (E_RNA) where: Base-Base interactions energy: -266.077 where: short stacking energy: -178.551 Base-Backbone interact. energy: 0.782 local terms energy: -412.910596 where: bonds (distance) C4'-P energy: -134.338 bonds (distance) P-C4' energy: -130.916 flat angles C4'-P-C4' energy: -118.766 flat angles P-C4'-P energy: -45.011 tors. eta vs tors. theta energy: 16.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2609.285072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.285072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.285072 (E_RNA) where: Base-Base interactions energy: -1761.529 where: short stacking energy: -755.256 Base-Backbone interact. energy: 0.041 local terms energy: -847.797447 where: bonds (distance) C4'-P energy: -177.184 bonds (distance) P-C4' energy: -173.484 flat angles C4'-P-C4' energy: -177.026 flat angles P-C4'-P energy: -107.506 tors. eta vs tors. theta energy: -212.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2540.952953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.952953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.952953 (E_RNA) where: Base-Base interactions energy: -1687.194 where: short stacking energy: -742.544 Base-Backbone interact. energy: -0.612 local terms energy: -853.147488 where: bonds (distance) C4'-P energy: -157.707 bonds (distance) P-C4' energy: -169.070 flat angles C4'-P-C4' energy: -189.369 flat angles P-C4'-P energy: -121.300 tors. eta vs tors. theta energy: -215.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2181.420062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.420062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.420062 (E_RNA) where: Base-Base interactions energy: -1438.866 where: short stacking energy: -606.564 Base-Backbone interact. energy: -1.112 local terms energy: -741.442075 where: bonds (distance) C4'-P energy: -138.685 bonds (distance) P-C4' energy: -151.870 flat angles C4'-P-C4' energy: -177.773 flat angles P-C4'-P energy: -109.352 tors. eta vs tors. theta energy: -163.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2042.465523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.465523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.465523 (E_RNA) where: Base-Base interactions energy: -1333.739 where: short stacking energy: -609.805 Base-Backbone interact. energy: -2.667 local terms energy: -706.059198 where: bonds (distance) C4'-P energy: -139.626 bonds (distance) P-C4' energy: -147.049 flat angles C4'-P-C4' energy: -151.948 flat angles P-C4'-P energy: -104.016 tors. eta vs tors. theta energy: -163.420 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: 2 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1795.756823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.756823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.756823 (E_RNA) where: Base-Base interactions energy: -1116.946 where: short stacking energy: -544.304 Base-Backbone interact. energy: -2.201 local terms energy: -676.609561 where: bonds (distance) C4'-P energy: -142.052 bonds (distance) P-C4' energy: -155.097 flat angles C4'-P-C4' energy: -163.726 flat angles P-C4'-P energy: -85.071 tors. eta vs tors. theta energy: -130.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1661.869798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.869798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.869798 (E_RNA) where: Base-Base interactions energy: -1020.167 where: short stacking energy: -499.498 Base-Backbone interact. energy: -3.645 local terms energy: -638.057071 where: bonds (distance) C4'-P energy: -146.890 bonds (distance) P-C4' energy: -134.619 flat angles C4'-P-C4' energy: -157.036 flat angles P-C4'-P energy: -104.431 tors. eta vs tors. theta energy: -95.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1480.340553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.340553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.340553 (E_RNA) where: Base-Base interactions energy: -891.663 where: short stacking energy: -436.091 Base-Backbone interact. energy: 1.760 local terms energy: -590.437992 where: bonds (distance) C4'-P energy: -130.933 bonds (distance) P-C4' energy: -143.444 flat angles C4'-P-C4' energy: -117.465 flat angles P-C4'-P energy: -110.456 tors. eta vs tors. theta energy: -88.141 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: 8, replica: 5 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1348.831519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.831519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.831519 (E_RNA) where: Base-Base interactions energy: -829.216 where: short stacking energy: -409.557 Base-Backbone interact. energy: 3.619 local terms energy: -523.233875 where: bonds (distance) C4'-P energy: -114.972 bonds (distance) P-C4' energy: -132.708 flat angles C4'-P-C4' energy: -128.241 flat angles P-C4'-P energy: -80.539 tors. eta vs tors. theta energy: -66.774 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: 9, replica: 8 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -834.340812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.340812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.340812 (E_RNA) where: Base-Base interactions energy: -379.756 where: short stacking energy: -270.520 Base-Backbone interact. energy: -3.887 local terms energy: -450.697424 where: bonds (distance) C4'-P energy: -116.689 bonds (distance) P-C4' energy: -140.599 flat angles C4'-P-C4' energy: -112.052 flat angles P-C4'-P energy: -84.058 tors. eta vs tors. theta energy: 2.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -617.257336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.257336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.257336 (E_RNA) where: Base-Base interactions energy: -233.162 where: short stacking energy: -192.301 Base-Backbone interact. energy: 0.726 local terms energy: -384.821481 where: bonds (distance) C4'-P energy: -107.329 bonds (distance) P-C4' energy: -164.329 flat angles C4'-P-C4' energy: -107.837 flat angles P-C4'-P energy: -46.126 tors. eta vs tors. theta energy: 40.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2584.834169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.834169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.834169 (E_RNA) where: Base-Base interactions energy: -1762.543 where: short stacking energy: -776.090 Base-Backbone interact. energy: 2.825 local terms energy: -825.116182 where: bonds (distance) C4'-P energy: -164.174 bonds (distance) P-C4' energy: -156.119 flat angles C4'-P-C4' energy: -188.607 flat angles P-C4'-P energy: -97.952 tors. eta vs tors. theta energy: -218.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2514.396497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.396497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.396497 (E_RNA) where: Base-Base interactions energy: -1668.412 where: short stacking energy: -766.864 Base-Backbone interact. energy: -2.817 local terms energy: -843.167147 where: bonds (distance) C4'-P energy: -164.208 bonds (distance) P-C4' energy: -147.322 flat angles C4'-P-C4' energy: -183.648 flat angles P-C4'-P energy: -132.619 tors. eta vs tors. theta energy: -215.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2267.732593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.732593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.732593 (E_RNA) where: Base-Base interactions energy: -1527.997 where: short stacking energy: -680.430 Base-Backbone interact. energy: -4.782 local terms energy: -734.953255 where: bonds (distance) C4'-P energy: -142.997 bonds (distance) P-C4' energy: -151.742 flat angles C4'-P-C4' energy: -163.622 flat angles P-C4'-P energy: -93.967 tors. eta vs tors. theta energy: -182.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2057.784892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.784892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.784892 (E_RNA) where: Base-Base interactions energy: -1340.314 where: short stacking energy: -609.793 Base-Backbone interact. energy: -1.149 local terms energy: -716.321948 where: bonds (distance) C4'-P energy: -153.502 bonds (distance) P-C4' energy: -138.862 flat angles C4'-P-C4' energy: -163.056 flat angles P-C4'-P energy: -107.274 tors. eta vs tors. theta energy: -153.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1827.964119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.964119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.964119 (E_RNA) where: Base-Base interactions energy: -1101.128 where: short stacking energy: -542.503 Base-Backbone interact. energy: -3.108 local terms energy: -723.728900 where: bonds (distance) C4'-P energy: -159.554 bonds (distance) P-C4' energy: -157.536 flat angles C4'-P-C4' energy: -171.646 flat angles P-C4'-P energy: -102.838 tors. eta vs tors. theta energy: -132.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1712.390515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.390515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.390515 (E_RNA) where: Base-Base interactions energy: -1082.450 where: short stacking energy: -522.364 Base-Backbone interact. energy: -0.620 local terms energy: -629.319908 where: bonds (distance) C4'-P energy: -131.616 bonds (distance) P-C4' energy: -146.547 flat angles C4'-P-C4' energy: -150.736 flat angles P-C4'-P energy: -92.122 tors. eta vs tors. theta energy: -108.300 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: 4 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1565.289782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.289782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.289782 (E_RNA) where: Base-Base interactions energy: -954.247 where: short stacking energy: -460.363 Base-Backbone interact. energy: -0.926 local terms energy: -610.116511 where: bonds (distance) C4'-P energy: -142.316 bonds (distance) P-C4' energy: -133.929 flat angles C4'-P-C4' energy: -154.772 flat angles P-C4'-P energy: -87.752 tors. eta vs tors. theta energy: -91.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1405.568580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.568580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.568580 (E_RNA) where: Base-Base interactions energy: -856.410 where: short stacking energy: -384.790 Base-Backbone interact. energy: -2.223 local terms energy: -546.935471 where: bonds (distance) C4'-P energy: -131.075 bonds (distance) P-C4' energy: -121.713 flat angles C4'-P-C4' energy: -134.044 flat angles P-C4'-P energy: -90.561 tors. eta vs tors. theta energy: -69.543 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: 8 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -834.863296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.863296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.863296 (E_RNA) where: Base-Base interactions energy: -412.854 where: short stacking energy: -262.475 Base-Backbone interact. energy: 0.512 local terms energy: -422.521426 where: bonds (distance) C4'-P energy: -135.950 bonds (distance) P-C4' energy: -129.183 flat angles C4'-P-C4' energy: -102.895 flat angles P-C4'-P energy: -67.669 tors. eta vs tors. theta energy: 13.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -627.301768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.301768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.301768 (E_RNA) where: Base-Base interactions energy: -220.193 where: short stacking energy: -180.508 Base-Backbone interact. energy: 0.183 local terms energy: -407.291750 where: bonds (distance) C4'-P energy: -124.553 bonds (distance) P-C4' energy: -150.778 flat angles C4'-P-C4' energy: -120.689 flat angles P-C4'-P energy: -43.006 tors. eta vs tors. theta energy: 31.734 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: 96 Temperature: 0.900000 Total energy: -2597.489042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.489042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.489042 (E_RNA) where: Base-Base interactions energy: -1774.541 where: short stacking energy: -772.778 Base-Backbone interact. energy: 3.242 local terms energy: -826.189971 where: bonds (distance) C4'-P energy: -158.397 bonds (distance) P-C4' energy: -159.457 flat angles C4'-P-C4' energy: -174.032 flat angles P-C4'-P energy: -113.535 tors. eta vs tors. theta energy: -220.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2502.659196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.659196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.659196 (E_RNA) where: Base-Base interactions energy: -1677.759 where: short stacking energy: -775.192 Base-Backbone interact. energy: -3.870 local terms energy: -821.030317 where: bonds (distance) C4'-P energy: -148.814 bonds (distance) P-C4' energy: -154.868 flat angles C4'-P-C4' energy: -181.721 flat angles P-C4'-P energy: -121.598 tors. eta vs tors. theta energy: -214.030 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: 3, replica: 10 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2215.128660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.128660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.128660 (E_RNA) where: Base-Base interactions energy: -1432.372 where: short stacking energy: -669.484 Base-Backbone interact. energy: -4.962 local terms energy: -777.795147 where: bonds (distance) C4'-P energy: -159.377 bonds (distance) P-C4' energy: -161.277 flat angles C4'-P-C4' energy: -176.140 flat angles P-C4'-P energy: -100.577 tors. eta vs tors. theta energy: -180.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2154.813262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.813262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.813262 (E_RNA) where: Base-Base interactions energy: -1399.751 where: short stacking energy: -632.540 Base-Backbone interact. energy: -3.241 local terms energy: -751.820958 where: bonds (distance) C4'-P energy: -136.409 bonds (distance) P-C4' energy: -152.125 flat angles C4'-P-C4' energy: -170.285 flat angles P-C4'-P energy: -115.908 tors. eta vs tors. theta energy: -177.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1826.395017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.395017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.395017 (E_RNA) where: Base-Base interactions energy: -1140.590 where: short stacking energy: -519.339 Base-Backbone interact. energy: -4.352 local terms energy: -681.453215 where: bonds (distance) C4'-P energy: -147.039 bonds (distance) P-C4' energy: -139.459 flat angles C4'-P-C4' energy: -152.371 flat angles P-C4'-P energy: -105.646 tors. eta vs tors. theta energy: -136.938 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: 1 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1711.401216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.401216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.401216 (E_RNA) where: Base-Base interactions energy: -1123.449 where: short stacking energy: -491.616 Base-Backbone interact. energy: -2.256 local terms energy: -585.695778 where: bonds (distance) C4'-P energy: -130.472 bonds (distance) P-C4' energy: -130.490 flat angles C4'-P-C4' energy: -146.959 flat angles P-C4'-P energy: -74.418 tors. eta vs tors. theta energy: -103.357 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: 4 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1526.434888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.434888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.434888 (E_RNA) where: Base-Base interactions energy: -915.762 where: short stacking energy: -446.736 Base-Backbone interact. energy: -1.158 local terms energy: -609.514715 where: bonds (distance) C4'-P energy: -152.666 bonds (distance) P-C4' energy: -152.714 flat angles C4'-P-C4' energy: -142.403 flat angles P-C4'-P energy: -66.798 tors. eta vs tors. theta energy: -94.934 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: 8, replica: 5 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1339.709800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.709800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.709800 (E_RNA) where: Base-Base interactions energy: -824.948 where: short stacking energy: -408.139 Base-Backbone interact. energy: 4.873 local terms energy: -519.634883 where: bonds (distance) C4'-P energy: -145.393 bonds (distance) P-C4' energy: -137.169 flat angles C4'-P-C4' energy: -106.057 flat angles P-C4'-P energy: -73.448 tors. eta vs tors. theta energy: -57.568 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: 9, replica: 8 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -807.284249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.284249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.284249 (E_RNA) where: Base-Base interactions energy: -373.591 where: short stacking energy: -229.408 Base-Backbone interact. energy: 3.559 local terms energy: -437.252274 where: bonds (distance) C4'-P energy: -122.662 bonds (distance) P-C4' energy: -139.681 flat angles C4'-P-C4' energy: -114.917 flat angles P-C4'-P energy: -72.408 tors. eta vs tors. theta energy: 12.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -589.731540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.731540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.731540 (E_RNA) where: Base-Base interactions energy: -182.880 where: short stacking energy: -161.959 Base-Backbone interact. energy: -0.970 local terms energy: -405.881963 where: bonds (distance) C4'-P energy: -127.294 bonds (distance) P-C4' energy: -122.560 flat angles C4'-P-C4' energy: -124.652 flat angles P-C4'-P energy: -48.999 tors. eta vs tors. theta energy: 17.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2569.766907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.766907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.766907 (E_RNA) where: Base-Base interactions energy: -1722.920 where: short stacking energy: -742.129 Base-Backbone interact. energy: 0.312 local terms energy: -847.158848 where: bonds (distance) C4'-P energy: -149.091 bonds (distance) P-C4' energy: -173.912 flat angles C4'-P-C4' energy: -184.629 flat angles P-C4'-P energy: -138.315 tors. eta vs tors. theta energy: -201.211 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: 2, replica: 3 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2503.192545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.192545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.192545 (E_RNA) where: Base-Base interactions energy: -1693.088 where: short stacking energy: -733.573 Base-Backbone interact. energy: -2.459 local terms energy: -807.645182 where: bonds (distance) C4'-P energy: -154.430 bonds (distance) P-C4' energy: -160.024 flat angles C4'-P-C4' energy: -175.366 flat angles P-C4'-P energy: -107.873 tors. eta vs tors. theta energy: -209.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2228.476497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.476497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.476497 (E_RNA) where: Base-Base interactions energy: -1476.317 where: short stacking energy: -644.317 Base-Backbone interact. energy: 2.393 local terms energy: -754.552194 where: bonds (distance) C4'-P energy: -144.003 bonds (distance) P-C4' energy: -142.937 flat angles C4'-P-C4' energy: -177.368 flat angles P-C4'-P energy: -119.999 tors. eta vs tors. theta energy: -170.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2118.045253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.045253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.045253 (E_RNA) where: Base-Base interactions energy: -1381.260 where: short stacking energy: -618.519 Base-Backbone interact. energy: -2.778 local terms energy: -734.007024 where: bonds (distance) C4'-P energy: -132.432 bonds (distance) P-C4' energy: -161.036 flat angles C4'-P-C4' energy: -180.556 flat angles P-C4'-P energy: -95.988 tors. eta vs tors. theta energy: -163.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1831.783125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.783125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.783125 (E_RNA) where: Base-Base interactions energy: -1177.174 where: short stacking energy: -563.957 Base-Backbone interact. energy: 1.863 local terms energy: -656.471880 where: bonds (distance) C4'-P energy: -146.619 bonds (distance) P-C4' energy: -152.930 flat angles C4'-P-C4' energy: -144.606 flat angles P-C4'-P energy: -88.829 tors. eta vs tors. theta energy: -123.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1764.832898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.832898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.832898 (E_RNA) where: Base-Base interactions energy: -1123.410 where: short stacking energy: -512.228 Base-Backbone interact. energy: -1.298 local terms energy: -640.125464 where: bonds (distance) C4'-P energy: -136.637 bonds (distance) P-C4' energy: -144.824 flat angles C4'-P-C4' energy: -142.150 flat angles P-C4'-P energy: -99.644 tors. eta vs tors. theta energy: -116.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1522.678832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.678832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.678832 (E_RNA) where: Base-Base interactions energy: -939.123 where: short stacking energy: -479.972 Base-Backbone interact. energy: -0.985 local terms energy: -582.570517 where: bonds (distance) C4'-P energy: -118.997 bonds (distance) P-C4' energy: -153.172 flat angles C4'-P-C4' energy: -134.332 flat angles P-C4'-P energy: -75.589 tors. eta vs tors. theta energy: -100.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1389.259751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.259751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.259751 (E_RNA) where: Base-Base interactions energy: -822.352 where: short stacking energy: -399.833 Base-Backbone interact. energy: 5.549 local terms energy: -572.456192 where: bonds (distance) C4'-P energy: -144.254 bonds (distance) P-C4' energy: -137.302 flat angles C4'-P-C4' energy: -127.591 flat angles P-C4'-P energy: -90.720 tors. eta vs tors. theta energy: -72.589 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: 8 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -824.644192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.644192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.644192 (E_RNA) where: Base-Base interactions energy: -389.459 where: short stacking energy: -250.917 Base-Backbone interact. energy: 0.033 local terms energy: -435.217887 where: bonds (distance) C4'-P energy: -117.255 bonds (distance) P-C4' energy: -132.469 flat angles C4'-P-C4' energy: -124.288 flat angles P-C4'-P energy: -66.394 tors. eta vs tors. theta energy: 5.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -665.757505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.757505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.757505 (E_RNA) where: Base-Base interactions energy: -238.809 where: short stacking energy: -202.081 Base-Backbone interact. energy: 2.577 local terms energy: -429.526097 where: bonds (distance) C4'-P energy: -117.441 bonds (distance) P-C4' energy: -125.941 flat angles C4'-P-C4' energy: -104.961 flat angles P-C4'-P energy: -85.872 tors. eta vs tors. theta energy: 4.690 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: 6 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2587.831821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.831821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.831821 (E_RNA) where: Base-Base interactions energy: -1737.589 where: short stacking energy: -777.711 Base-Backbone interact. energy: -7.131 local terms energy: -843.111713 where: bonds (distance) C4'-P energy: -146.646 bonds (distance) P-C4' energy: -177.990 flat angles C4'-P-C4' energy: -186.717 flat angles P-C4'-P energy: -114.650 tors. eta vs tors. theta energy: -217.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2528.689536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.689536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.689536 (E_RNA) where: Base-Base interactions energy: -1710.604 where: short stacking energy: -766.502 Base-Backbone interact. energy: 1.889 local terms energy: -819.974708 where: bonds (distance) C4'-P energy: -167.745 bonds (distance) P-C4' energy: -158.460 flat angles C4'-P-C4' energy: -162.579 flat angles P-C4'-P energy: -127.428 tors. eta vs tors. theta energy: -203.763 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: 3, replica: 10 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2250.995069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.995069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.995069 (E_RNA) where: Base-Base interactions energy: -1472.266 where: short stacking energy: -652.885 Base-Backbone interact. energy: -6.696 local terms energy: -772.033466 where: bonds (distance) C4'-P energy: -153.597 bonds (distance) P-C4' energy: -166.622 flat angles C4'-P-C4' energy: -169.002 flat angles P-C4'-P energy: -108.785 tors. eta vs tors. theta energy: -174.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2134.709405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.709405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.709405 (E_RNA) where: Base-Base interactions energy: -1383.220 where: short stacking energy: -624.868 Base-Backbone interact. energy: -3.705 local terms energy: -747.784074 where: bonds (distance) C4'-P energy: -136.940 bonds (distance) P-C4' energy: -152.541 flat angles C4'-P-C4' energy: -173.907 flat angles P-C4'-P energy: -111.031 tors. eta vs tors. theta energy: -173.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1838.554975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.554975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.554975 (E_RNA) where: Base-Base interactions energy: -1167.440 where: short stacking energy: -543.403 Base-Backbone interact. energy: -4.211 local terms energy: -666.904794 where: bonds (distance) C4'-P energy: -144.369 bonds (distance) P-C4' energy: -140.552 flat angles C4'-P-C4' energy: -167.357 flat angles P-C4'-P energy: -101.019 tors. eta vs tors. theta energy: -113.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1750.182360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.182360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.182360 (E_RNA) where: Base-Base interactions energy: -1113.013 where: short stacking energy: -518.716 Base-Backbone interact. energy: -0.813 local terms energy: -636.355979 where: bonds (distance) C4'-P energy: -155.584 bonds (distance) P-C4' energy: -132.826 flat angles C4'-P-C4' energy: -152.185 flat angles P-C4'-P energy: -80.478 tors. eta vs tors. theta energy: -115.282 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: 4 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1481.784425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.784425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.784425 (E_RNA) where: Base-Base interactions energy: -924.318 where: short stacking energy: -418.525 Base-Backbone interact. energy: 1.313 local terms energy: -558.779055 where: bonds (distance) C4'-P energy: -135.749 bonds (distance) P-C4' energy: -145.440 flat angles C4'-P-C4' energy: -129.413 flat angles P-C4'-P energy: -77.277 tors. eta vs tors. theta energy: -70.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1458.185663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.185663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.185663 (E_RNA) where: Base-Base interactions energy: -902.586 where: short stacking energy: -443.203 Base-Backbone interact. energy: -2.967 local terms energy: -552.633342 where: bonds (distance) C4'-P energy: -117.895 bonds (distance) P-C4' energy: -143.105 flat angles C4'-P-C4' energy: -152.679 flat angles P-C4'-P energy: -72.600 tors. eta vs tors. theta energy: -66.353 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: 8 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -814.895744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.895744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.895744 (E_RNA) where: Base-Base interactions energy: -399.987 where: short stacking energy: -256.279 Base-Backbone interact. energy: -2.302 local terms energy: -412.606874 where: bonds (distance) C4'-P energy: -115.017 bonds (distance) P-C4' energy: -122.943 flat angles C4'-P-C4' energy: -119.539 flat angles P-C4'-P energy: -80.126 tors. eta vs tors. theta energy: 25.019 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: 7 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -589.377452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.377452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.377452 (E_RNA) where: Base-Base interactions energy: -204.084 where: short stacking energy: -173.834 Base-Backbone interact. energy: 5.294 local terms energy: -390.587640 where: bonds (distance) C4'-P energy: -140.984 bonds (distance) P-C4' energy: -129.347 flat angles C4'-P-C4' energy: -109.779 flat angles P-C4'-P energy: -59.931 tors. eta vs tors. theta energy: 49.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2556.893601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.893601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.893601 (E_RNA) where: Base-Base interactions energy: -1721.644 where: short stacking energy: -754.899 Base-Backbone interact. energy: 0.928 local terms energy: -836.177289 where: bonds (distance) C4'-P energy: -153.278 bonds (distance) P-C4' energy: -158.884 flat angles C4'-P-C4' energy: -181.967 flat angles P-C4'-P energy: -124.972 tors. eta vs tors. theta energy: -217.077 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: 3 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2466.263495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.263495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.263495 (E_RNA) where: Base-Base interactions energy: -1643.871 where: short stacking energy: -749.022 Base-Backbone interact. energy: 0.292 local terms energy: -822.684334 where: bonds (distance) C4'-P energy: -154.257 bonds (distance) P-C4' energy: -168.785 flat angles C4'-P-C4' energy: -177.509 flat angles P-C4'-P energy: -110.618 tors. eta vs tors. theta energy: -211.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2241.913930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.913930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.913930 (E_RNA) where: Base-Base interactions energy: -1487.144 where: short stacking energy: -660.973 Base-Backbone interact. energy: -1.283 local terms energy: -753.486901 where: bonds (distance) C4'-P energy: -151.790 bonds (distance) P-C4' energy: -154.659 flat angles C4'-P-C4' energy: -172.131 flat angles P-C4'-P energy: -97.552 tors. eta vs tors. theta energy: -177.354 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: 9 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2114.734706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.734706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.734706 (E_RNA) where: Base-Base interactions energy: -1385.391 where: short stacking energy: -629.014 Base-Backbone interact. energy: -2.257 local terms energy: -727.087060 where: bonds (distance) C4'-P energy: -143.437 bonds (distance) P-C4' energy: -150.889 flat angles C4'-P-C4' energy: -169.169 flat angles P-C4'-P energy: -111.108 tors. eta vs tors. theta energy: -152.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1868.740271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.740271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.740271 (E_RNA) where: Base-Base interactions energy: -1221.772 where: short stacking energy: -547.301 Base-Backbone interact. energy: -1.856 local terms energy: -645.112199 where: bonds (distance) C4'-P energy: -130.904 bonds (distance) P-C4' energy: -142.446 flat angles C4'-P-C4' energy: -138.891 flat angles P-C4'-P energy: -100.619 tors. eta vs tors. theta energy: -132.252 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: 6, replica: 1 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1686.208705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.208705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.208705 (E_RNA) where: Base-Base interactions energy: -1066.105 where: short stacking energy: -492.365 Base-Backbone interact. energy: -0.264 local terms energy: -619.839930 where: bonds (distance) C4'-P energy: -150.521 bonds (distance) P-C4' energy: -133.374 flat angles C4'-P-C4' energy: -140.660 flat angles P-C4'-P energy: -90.478 tors. eta vs tors. theta energy: -104.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1523.883204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.883204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.883204 (E_RNA) where: Base-Base interactions energy: -936.545 where: short stacking energy: -463.229 Base-Backbone interact. energy: -3.117 local terms energy: -584.221922 where: bonds (distance) C4'-P energy: -138.617 bonds (distance) P-C4' energy: -140.830 flat angles C4'-P-C4' energy: -153.491 flat angles P-C4'-P energy: -68.270 tors. eta vs tors. theta energy: -83.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1485.770067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.770067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.770067 (E_RNA) where: Base-Base interactions energy: -899.005 where: short stacking energy: -428.318 Base-Backbone interact. energy: 0.591 local terms energy: -587.356508 where: bonds (distance) C4'-P energy: -105.177 bonds (distance) P-C4' energy: -146.235 flat angles C4'-P-C4' energy: -153.866 flat angles P-C4'-P energy: -90.834 tors. eta vs tors. theta energy: -91.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -830.876731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.876731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.876731 (E_RNA) where: Base-Base interactions energy: -368.103 where: short stacking energy: -239.949 Base-Backbone interact. energy: -4.347 local terms energy: -458.426110 where: bonds (distance) C4'-P energy: -129.437 bonds (distance) P-C4' energy: -147.643 flat angles C4'-P-C4' energy: -116.988 flat angles P-C4'-P energy: -53.975 tors. eta vs tors. theta energy: -10.383 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: 7 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -613.543693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.543693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.543693 (E_RNA) where: Base-Base interactions energy: -214.241 where: short stacking energy: -155.719 Base-Backbone interact. energy: 0.992 local terms energy: -400.295398 where: bonds (distance) C4'-P energy: -119.043 bonds (distance) P-C4' energy: -130.390 flat angles C4'-P-C4' energy: -122.851 flat angles P-C4'-P energy: -62.557 tors. eta vs tors. theta energy: 34.544 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: 1, replica: 6 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2589.363272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.363272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.363272 (E_RNA) where: Base-Base interactions energy: -1723.323 where: short stacking energy: -746.257 Base-Backbone interact. energy: -0.223 local terms energy: -865.817733 where: bonds (distance) C4'-P energy: -169.531 bonds (distance) P-C4' energy: -166.045 flat angles C4'-P-C4' energy: -185.314 flat angles P-C4'-P energy: -123.554 tors. eta vs tors. theta energy: -221.374 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: 3 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2516.511056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.511056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.511056 (E_RNA) where: Base-Base interactions energy: -1681.478 where: short stacking energy: -757.820 Base-Backbone interact. energy: -3.040 local terms energy: -831.993076 where: bonds (distance) C4'-P energy: -148.567 bonds (distance) P-C4' energy: -161.282 flat angles C4'-P-C4' energy: -186.270 flat angles P-C4'-P energy: -113.493 tors. eta vs tors. theta energy: -222.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2204.257765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.257765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.257765 (E_RNA) where: Base-Base interactions energy: -1466.692 where: short stacking energy: -657.365 Base-Backbone interact. energy: -2.131 local terms energy: -735.435163 where: bonds (distance) C4'-P energy: -148.151 bonds (distance) P-C4' energy: -147.452 flat angles C4'-P-C4' energy: -175.702 flat angles P-C4'-P energy: -101.493 tors. eta vs tors. theta energy: -162.637 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: 9 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2092.714712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.714712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.714712 (E_RNA) where: Base-Base interactions energy: -1357.365 where: short stacking energy: -619.773 Base-Backbone interact. energy: -0.485 local terms energy: -734.864423 where: bonds (distance) C4'-P energy: -157.472 bonds (distance) P-C4' energy: -153.038 flat angles C4'-P-C4' energy: -153.120 flat angles P-C4'-P energy: -111.942 tors. eta vs tors. theta energy: -159.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1848.855232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.855232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.855232 (E_RNA) where: Base-Base interactions energy: -1180.519 where: short stacking energy: -560.604 Base-Backbone interact. energy: -2.945 local terms energy: -665.391271 where: bonds (distance) C4'-P energy: -120.411 bonds (distance) P-C4' energy: -153.478 flat angles C4'-P-C4' energy: -162.922 flat angles P-C4'-P energy: -94.185 tors. eta vs tors. theta energy: -134.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1678.830131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.830131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.830131 (E_RNA) where: Base-Base interactions energy: -1037.664 where: short stacking energy: -497.259 Base-Backbone interact. energy: -2.782 local terms energy: -638.384916 where: bonds (distance) C4'-P energy: -150.653 bonds (distance) P-C4' energy: -158.619 flat angles C4'-P-C4' energy: -132.829 flat angles P-C4'-P energy: -109.387 tors. eta vs tors. theta energy: -86.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1441.291190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.291190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.291190 (E_RNA) where: Base-Base interactions energy: -861.038 where: short stacking energy: -413.299 Base-Backbone interact. energy: 2.054 local terms energy: -582.307109 where: bonds (distance) C4'-P energy: -133.674 bonds (distance) P-C4' energy: -150.830 flat angles C4'-P-C4' energy: -123.716 flat angles P-C4'-P energy: -94.311 tors. eta vs tors. theta energy: -79.776 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: 5 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1402.622066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.622066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.622066 (E_RNA) where: Base-Base interactions energy: -876.677 where: short stacking energy: -398.579 Base-Backbone interact. energy: -0.953 local terms energy: -524.991365 where: bonds (distance) C4'-P energy: -117.999 bonds (distance) P-C4' energy: -128.825 flat angles C4'-P-C4' energy: -128.394 flat angles P-C4'-P energy: -80.465 tors. eta vs tors. theta energy: -69.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -845.071880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.071880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.071880 (E_RNA) where: Base-Base interactions energy: -396.200 where: short stacking energy: -245.211 Base-Backbone interact. energy: 3.804 local terms energy: -452.675374 where: bonds (distance) C4'-P energy: -144.152 bonds (distance) P-C4' energy: -138.576 flat angles C4'-P-C4' energy: -121.823 flat angles P-C4'-P energy: -62.169 tors. eta vs tors. theta energy: 14.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -619.837267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.837267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.837267 (E_RNA) where: Base-Base interactions energy: -247.267 where: short stacking energy: -186.691 Base-Backbone interact. energy: 6.162 local terms energy: -378.732369 where: bonds (distance) C4'-P energy: -130.203 bonds (distance) P-C4' energy: -132.398 flat angles C4'-P-C4' energy: -110.551 flat angles P-C4'-P energy: -48.475 tors. eta vs tors. theta energy: 42.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2610.327837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.327837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.327837 (E_RNA) where: Base-Base interactions energy: -1765.701 where: short stacking energy: -747.364 Base-Backbone interact. energy: -0.465 local terms energy: -844.162266 where: bonds (distance) C4'-P energy: -161.831 bonds (distance) P-C4' energy: -172.969 flat angles C4'-P-C4' energy: -176.763 flat angles P-C4'-P energy: -112.386 tors. eta vs tors. theta energy: -220.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2489.301347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.301347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.301347 (E_RNA) where: Base-Base interactions energy: -1664.078 where: short stacking energy: -727.290 Base-Backbone interact. energy: -1.247 local terms energy: -823.975704 where: bonds (distance) C4'-P energy: -160.895 bonds (distance) P-C4' energy: -167.661 flat angles C4'-P-C4' energy: -181.087 flat angles P-C4'-P energy: -105.858 tors. eta vs tors. theta energy: -208.475 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: 10 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2207.215911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.215911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.215911 (E_RNA) where: Base-Base interactions energy: -1490.225 where: short stacking energy: -641.487 Base-Backbone interact. energy: 0.686 local terms energy: -717.677618 where: bonds (distance) C4'-P energy: -145.091 bonds (distance) P-C4' energy: -147.251 flat angles C4'-P-C4' energy: -171.931 flat angles P-C4'-P energy: -98.700 tors. eta vs tors. theta energy: -154.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1997.148502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.148502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.148502 (E_RNA) where: Base-Base interactions energy: -1302.981 where: short stacking energy: -577.793 Base-Backbone interact. energy: -2.598 local terms energy: -691.569129 where: bonds (distance) C4'-P energy: -139.713 bonds (distance) P-C4' energy: -155.866 flat angles C4'-P-C4' energy: -164.240 flat angles P-C4'-P energy: -100.141 tors. eta vs tors. theta energy: -131.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1838.644705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.644705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.644705 (E_RNA) where: Base-Base interactions energy: -1188.771 where: short stacking energy: -520.253 Base-Backbone interact. energy: -1.075 local terms energy: -648.798638 where: bonds (distance) C4'-P energy: -137.313 bonds (distance) P-C4' energy: -158.215 flat angles C4'-P-C4' energy: -137.113 flat angles P-C4'-P energy: -91.937 tors. eta vs tors. theta energy: -124.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1727.527038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.527038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.527038 (E_RNA) where: Base-Base interactions energy: -1135.781 where: short stacking energy: -509.490 Base-Backbone interact. energy: -2.893 local terms energy: -588.852066 where: bonds (distance) C4'-P energy: -131.792 bonds (distance) P-C4' energy: -117.915 flat angles C4'-P-C4' energy: -125.593 flat angles P-C4'-P energy: -92.852 tors. eta vs tors. theta energy: -120.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1368.721445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.721445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.721445 (E_RNA) where: Base-Base interactions energy: -840.909 where: short stacking energy: -427.283 Base-Backbone interact. energy: -3.526 local terms energy: -524.286733 where: bonds (distance) C4'-P energy: -132.001 bonds (distance) P-C4' energy: -136.804 flat angles C4'-P-C4' energy: -111.113 flat angles P-C4'-P energy: -68.684 tors. eta vs tors. theta energy: -75.684 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: 5 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1363.967725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.967725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.967725 (E_RNA) where: Base-Base interactions energy: -814.713 where: short stacking energy: -377.881 Base-Backbone interact. energy: 1.730 local terms energy: -550.984799 where: bonds (distance) C4'-P energy: -134.147 bonds (distance) P-C4' energy: -140.951 flat angles C4'-P-C4' energy: -129.429 flat angles P-C4'-P energy: -87.251 tors. eta vs tors. theta energy: -59.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -796.478755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.478755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.478755 (E_RNA) where: Base-Base interactions energy: -380.296 where: short stacking energy: -238.068 Base-Backbone interact. energy: -2.479 local terms energy: -413.704079 where: bonds (distance) C4'-P energy: -110.748 bonds (distance) P-C4' energy: -163.538 flat angles C4'-P-C4' energy: -103.047 flat angles P-C4'-P energy: -51.810 tors. eta vs tors. theta energy: 15.439 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: 101 Temperature: 1.350000 Total energy: -632.091004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.091004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.091004 (E_RNA) where: Base-Base interactions energy: -256.107 where: short stacking energy: -188.440 Base-Backbone interact. energy: 4.934 local terms energy: -380.918137 where: bonds (distance) C4'-P energy: -131.251 bonds (distance) P-C4' energy: -147.436 flat angles C4'-P-C4' energy: -105.780 flat angles P-C4'-P energy: -31.176 tors. eta vs tors. theta energy: 34.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2594.732879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.732879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.732879 (E_RNA) where: Base-Base interactions energy: -1773.752 where: short stacking energy: -781.845 Base-Backbone interact. energy: -3.061 local terms energy: -817.920577 where: bonds (distance) C4'-P energy: -163.692 bonds (distance) P-C4' energy: -155.352 flat angles C4'-P-C4' energy: -176.982 flat angles P-C4'-P energy: -107.841 tors. eta vs tors. theta energy: -214.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2526.505357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.505357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.505357 (E_RNA) where: Base-Base interactions energy: -1721.129 where: short stacking energy: -758.313 Base-Backbone interact. energy: -4.018 local terms energy: -801.358965 where: bonds (distance) C4'-P energy: -133.541 bonds (distance) P-C4' energy: -160.543 flat angles C4'-P-C4' energy: -168.202 flat angles P-C4'-P energy: -119.352 tors. eta vs tors. theta energy: -219.720 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: 10 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2242.047641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.047641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.047641 (E_RNA) where: Base-Base interactions energy: -1477.283 where: short stacking energy: -649.570 Base-Backbone interact. energy: -0.414 local terms energy: -764.350423 where: bonds (distance) C4'-P energy: -161.289 bonds (distance) P-C4' energy: -156.094 flat angles C4'-P-C4' energy: -168.906 flat angles P-C4'-P energy: -110.672 tors. eta vs tors. theta energy: -167.389 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: 9 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2103.872803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.872803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.872803 (E_RNA) where: Base-Base interactions energy: -1388.533 where: short stacking energy: -610.902 Base-Backbone interact. energy: -1.140 local terms energy: -714.200188 where: bonds (distance) C4'-P energy: -136.906 bonds (distance) P-C4' energy: -154.201 flat angles C4'-P-C4' energy: -153.881 flat angles P-C4'-P energy: -113.970 tors. eta vs tors. theta energy: -155.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1903.366126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.366126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.366126 (E_RNA) where: Base-Base interactions energy: -1256.119 where: short stacking energy: -564.285 Base-Backbone interact. energy: -3.172 local terms energy: -644.075269 where: bonds (distance) C4'-P energy: -121.759 bonds (distance) P-C4' energy: -150.434 flat angles C4'-P-C4' energy: -154.582 flat angles P-C4'-P energy: -93.389 tors. eta vs tors. theta energy: -123.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1728.457685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.457685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.457685 (E_RNA) where: Base-Base interactions energy: -1086.460 where: short stacking energy: -504.704 Base-Backbone interact. energy: -1.819 local terms energy: -640.179069 where: bonds (distance) C4'-P energy: -132.295 bonds (distance) P-C4' energy: -147.603 flat angles C4'-P-C4' energy: -163.878 flat angles P-C4'-P energy: -92.830 tors. eta vs tors. theta energy: -103.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1448.334163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.334163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.334163 (E_RNA) where: Base-Base interactions energy: -884.289 where: short stacking energy: -403.054 Base-Backbone interact. energy: -2.351 local terms energy: -561.694636 where: bonds (distance) C4'-P energy: -146.389 bonds (distance) P-C4' energy: -154.582 flat angles C4'-P-C4' energy: -134.545 flat angles P-C4'-P energy: -83.811 tors. eta vs tors. theta energy: -42.368 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: 4 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1209.090803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.090803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.090803 (E_RNA) where: Base-Base interactions energy: -694.376 where: short stacking energy: -340.415 Base-Backbone interact. energy: -2.802 local terms energy: -511.912629 where: bonds (distance) C4'-P energy: -128.488 bonds (distance) P-C4' energy: -130.487 flat angles C4'-P-C4' energy: -133.957 flat angles P-C4'-P energy: -86.473 tors. eta vs tors. theta energy: -32.508 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: 9, replica: 8 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -886.032366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.032366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.032366 (E_RNA) where: Base-Base interactions energy: -409.476 where: short stacking energy: -234.033 Base-Backbone interact. energy: -0.601 local terms energy: -475.955113 where: bonds (distance) C4'-P energy: -131.545 bonds (distance) P-C4' energy: -158.239 flat angles C4'-P-C4' energy: -130.243 flat angles P-C4'-P energy: -60.670 tors. eta vs tors. theta energy: 4.741 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: 10, replica: 7 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -591.418584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.418584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.418584 (E_RNA) where: Base-Base interactions energy: -176.035 where: short stacking energy: -158.960 Base-Backbone interact. energy: -0.353 local terms energy: -415.030401 where: bonds (distance) C4'-P energy: -147.467 bonds (distance) P-C4' energy: -140.411 flat angles C4'-P-C4' energy: -94.948 flat angles P-C4'-P energy: -67.354 tors. eta vs tors. theta energy: 35.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2586.763481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.763481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.763481 (E_RNA) where: Base-Base interactions energy: -1752.125 where: short stacking energy: -769.218 Base-Backbone interact. energy: -2.150 local terms energy: -832.487715 where: bonds (distance) C4'-P energy: -153.582 bonds (distance) P-C4' energy: -163.243 flat angles C4'-P-C4' energy: -186.099 flat angles P-C4'-P energy: -112.940 tors. eta vs tors. theta energy: -216.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2511.310627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.310627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.310627 (E_RNA) where: Base-Base interactions energy: -1671.469 where: short stacking energy: -761.522 Base-Backbone interact. energy: -4.196 local terms energy: -835.645666 where: bonds (distance) C4'-P energy: -170.054 bonds (distance) P-C4' energy: -162.198 flat angles C4'-P-C4' energy: -165.024 flat angles P-C4'-P energy: -116.088 tors. eta vs tors. theta energy: -222.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2172.953307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.953307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.953307 (E_RNA) where: Base-Base interactions energy: -1414.182 where: short stacking energy: -617.386 Base-Backbone interact. energy: -3.147 local terms energy: -755.623849 where: bonds (distance) C4'-P energy: -156.321 bonds (distance) P-C4' energy: -145.607 flat angles C4'-P-C4' energy: -171.445 flat angles P-C4'-P energy: -113.727 tors. eta vs tors. theta energy: -168.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2138.662042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.662042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.662042 (E_RNA) where: Base-Base interactions energy: -1382.923 where: short stacking energy: -641.528 Base-Backbone interact. energy: -3.691 local terms energy: -752.048075 where: bonds (distance) C4'-P energy: -161.448 bonds (distance) P-C4' energy: -164.758 flat angles C4'-P-C4' energy: -162.213 flat angles P-C4'-P energy: -99.655 tors. eta vs tors. theta energy: -163.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1890.223465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.223465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.223465 (E_RNA) where: Base-Base interactions energy: -1185.504 where: short stacking energy: -523.363 Base-Backbone interact. energy: -2.066 local terms energy: -702.653480 where: bonds (distance) C4'-P energy: -143.128 bonds (distance) P-C4' energy: -159.042 flat angles C4'-P-C4' energy: -166.177 flat angles P-C4'-P energy: -106.929 tors. eta vs tors. theta energy: -127.377 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: 1 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1682.850324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.850324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.850324 (E_RNA) where: Base-Base interactions energy: -1075.618 where: short stacking energy: -495.169 Base-Backbone interact. energy: 0.367 local terms energy: -607.598759 where: bonds (distance) C4'-P energy: -137.331 bonds (distance) P-C4' energy: -151.442 flat angles C4'-P-C4' energy: -138.862 flat angles P-C4'-P energy: -75.861 tors. eta vs tors. theta energy: -104.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1499.096884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.096884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.096884 (E_RNA) where: Base-Base interactions energy: -909.865 where: short stacking energy: -453.235 Base-Backbone interact. energy: 0.156 local terms energy: -589.387905 where: bonds (distance) C4'-P energy: -127.375 bonds (distance) P-C4' energy: -139.571 flat angles C4'-P-C4' energy: -149.871 flat angles P-C4'-P energy: -82.431 tors. eta vs tors. theta energy: -90.141 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: 8, replica: 4 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1255.482722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.482722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.482722 (E_RNA) where: Base-Base interactions energy: -742.013 where: short stacking energy: -364.156 Base-Backbone interact. energy: 1.257 local terms energy: -514.726556 where: bonds (distance) C4'-P energy: -140.067 bonds (distance) P-C4' energy: -125.441 flat angles C4'-P-C4' energy: -137.124 flat angles P-C4'-P energy: -68.605 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: 8 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -848.400919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.400919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.400919 (E_RNA) where: Base-Base interactions energy: -417.998 where: short stacking energy: -230.723 Base-Backbone interact. energy: 3.827 local terms energy: -434.230121 where: bonds (distance) C4'-P energy: -124.185 bonds (distance) P-C4' energy: -124.970 flat angles C4'-P-C4' energy: -118.175 flat angles P-C4'-P energy: -77.319 tors. eta vs tors. theta energy: 10.419 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: 10, replica: 7 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -645.531434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.531434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.531434 (E_RNA) where: Base-Base interactions energy: -241.595 where: short stacking energy: -182.151 Base-Backbone interact. energy: 4.141 local terms energy: -408.077424 where: bonds (distance) C4'-P energy: -134.532 bonds (distance) P-C4' energy: -131.057 flat angles C4'-P-C4' energy: -105.011 flat angles P-C4'-P energy: -58.974 tors. eta vs tors. theta energy: 21.497 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: 1, replica: 6 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2547.629268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.629268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.629268 (E_RNA) where: Base-Base interactions energy: -1732.231 where: short stacking energy: -753.207 Base-Backbone interact. energy: -3.418 local terms energy: -811.980454 where: bonds (distance) C4'-P energy: -153.681 bonds (distance) P-C4' energy: -163.099 flat angles C4'-P-C4' energy: -170.146 flat angles P-C4'-P energy: -113.990 tors. eta vs tors. theta energy: -211.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2532.437093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.437093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.437093 (E_RNA) where: Base-Base interactions energy: -1700.617 where: short stacking energy: -747.986 Base-Backbone interact. energy: 2.891 local terms energy: -834.710978 where: bonds (distance) C4'-P energy: -156.121 bonds (distance) P-C4' energy: -170.154 flat angles C4'-P-C4' energy: -170.862 flat angles P-C4'-P energy: -112.522 tors. eta vs tors. theta energy: -225.052 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: 3, replica: 10 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2189.839680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.839680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.839680 (E_RNA) where: Base-Base interactions energy: -1461.230 where: short stacking energy: -661.749 Base-Backbone interact. energy: -3.661 local terms energy: -724.948252 where: bonds (distance) C4'-P energy: -134.177 bonds (distance) P-C4' energy: -161.856 flat angles C4'-P-C4' energy: -164.234 flat angles P-C4'-P energy: -108.178 tors. eta vs tors. theta energy: -156.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2140.792666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.792666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.792666 (E_RNA) where: Base-Base interactions energy: -1424.816 where: short stacking energy: -661.393 Base-Backbone interact. energy: -5.306 local terms energy: -710.670745 where: bonds (distance) C4'-P energy: -147.692 bonds (distance) P-C4' energy: -154.386 flat angles C4'-P-C4' energy: -154.511 flat angles P-C4'-P energy: -91.997 tors. eta vs tors. theta energy: -162.085 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: 2 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1874.820299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.820299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.820299 (E_RNA) where: Base-Base interactions energy: -1188.970 where: short stacking energy: -559.114 Base-Backbone interact. energy: -0.522 local terms energy: -685.328090 where: bonds (distance) C4'-P energy: -165.217 bonds (distance) P-C4' energy: -137.266 flat angles C4'-P-C4' energy: -159.313 flat angles P-C4'-P energy: -94.483 tors. eta vs tors. theta energy: -129.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1729.662805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.662805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.662805 (E_RNA) where: Base-Base interactions energy: -1118.126 where: short stacking energy: -521.111 Base-Backbone interact. energy: 0.644 local terms energy: -612.179982 where: bonds (distance) C4'-P energy: -140.560 bonds (distance) P-C4' energy: -120.828 flat angles C4'-P-C4' energy: -146.821 flat angles P-C4'-P energy: -92.114 tors. eta vs tors. theta energy: -111.856 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: 104 Temperature: 1.200000 Total energy: -1484.722318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.722318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.722318 (E_RNA) where: Base-Base interactions energy: -922.599 where: short stacking energy: -409.939 Base-Backbone interact. energy: -0.668 local terms energy: -561.456154 where: bonds (distance) C4'-P energy: -135.352 bonds (distance) P-C4' energy: -124.528 flat angles C4'-P-C4' energy: -140.435 flat angles P-C4'-P energy: -81.616 tors. eta vs tors. theta energy: -79.526 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: 8, replica: 4 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1174.744198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.744198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.744198 (E_RNA) where: Base-Base interactions energy: -707.128 where: short stacking energy: -319.777 Base-Backbone interact. energy: -0.104 local terms energy: -467.512305 where: bonds (distance) C4'-P energy: -134.168 bonds (distance) P-C4' energy: -118.881 flat angles C4'-P-C4' energy: -127.799 flat angles P-C4'-P energy: -62.021 tors. eta vs tors. theta energy: -24.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -885.163128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.163128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.163128 (E_RNA) where: Base-Base interactions energy: -394.138 where: short stacking energy: -253.178 Base-Backbone interact. energy: -1.757 local terms energy: -489.268073 where: bonds (distance) C4'-P energy: -128.128 bonds (distance) P-C4' energy: -144.107 flat angles C4'-P-C4' energy: -119.374 flat angles P-C4'-P energy: -71.372 tors. eta vs tors. theta energy: -26.287 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: 10, replica: 7 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -660.424631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.424631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.424631 (E_RNA) where: Base-Base interactions energy: -215.791 where: short stacking energy: -174.024 Base-Backbone interact. energy: 0.327 local terms energy: -444.961371 where: bonds (distance) C4'-P energy: -142.167 bonds (distance) P-C4' energy: -131.445 flat angles C4'-P-C4' energy: -132.851 flat angles P-C4'-P energy: -70.409 tors. eta vs tors. theta energy: 31.911 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: 105 Temperature: 0.900000 Total energy: -2538.685987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.685987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.685987 (E_RNA) where: Base-Base interactions energy: -1724.180 where: short stacking energy: -781.677 Base-Backbone interact. energy: -3.411 local terms energy: -811.095619 where: bonds (distance) C4'-P energy: -149.271 bonds (distance) P-C4' energy: -161.162 flat angles C4'-P-C4' energy: -176.292 flat angles P-C4'-P energy: -118.590 tors. eta vs tors. theta energy: -205.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2525.549667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.549667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.549667 (E_RNA) where: Base-Base interactions energy: -1701.271 where: short stacking energy: -774.246 Base-Backbone interact. energy: -0.084 local terms energy: -824.194781 where: bonds (distance) C4'-P energy: -149.533 bonds (distance) P-C4' energy: -159.871 flat angles C4'-P-C4' energy: -153.676 flat angles P-C4'-P energy: -128.042 tors. eta vs tors. theta energy: -233.072 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: 105 Temperature: 1.000000 Total energy: -2233.643357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.643357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.643357 (E_RNA) where: Base-Base interactions energy: -1485.125 where: short stacking energy: -667.389 Base-Backbone interact. energy: -1.088 local terms energy: -747.429988 where: bonds (distance) C4'-P energy: -151.164 bonds (distance) P-C4' energy: -168.406 flat angles C4'-P-C4' energy: -166.507 flat angles P-C4'-P energy: -105.157 tors. eta vs tors. theta energy: -156.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2099.105515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.105515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.105515 (E_RNA) where: Base-Base interactions energy: -1359.217 where: short stacking energy: -632.658 Base-Backbone interact. energy: -0.558 local terms energy: -739.330295 where: bonds (distance) C4'-P energy: -146.853 bonds (distance) P-C4' energy: -140.284 flat angles C4'-P-C4' energy: -181.899 flat angles P-C4'-P energy: -101.376 tors. eta vs tors. theta energy: -168.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1927.700495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.700495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.700495 (E_RNA) where: Base-Base interactions energy: -1258.865 where: short stacking energy: -553.461 Base-Backbone interact. energy: 2.540 local terms energy: -671.376021 where: bonds (distance) C4'-P energy: -146.977 bonds (distance) P-C4' energy: -152.705 flat angles C4'-P-C4' energy: -152.965 flat angles P-C4'-P energy: -84.642 tors. eta vs tors. theta energy: -134.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1762.211543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.211543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.211543 (E_RNA) where: Base-Base interactions energy: -1118.519 where: short stacking energy: -526.631 Base-Backbone interact. energy: -0.237 local terms energy: -643.455494 where: bonds (distance) C4'-P energy: -148.610 bonds (distance) P-C4' energy: -139.688 flat angles C4'-P-C4' energy: -139.234 flat angles P-C4'-P energy: -105.106 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: 105 Temperature: 1.200000 Total energy: -1518.111910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.111910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.111910 (E_RNA) where: Base-Base interactions energy: -974.403 where: short stacking energy: -427.961 Base-Backbone interact. energy: -2.996 local terms energy: -540.713352 where: bonds (distance) C4'-P energy: -140.667 bonds (distance) P-C4' energy: -124.389 flat angles C4'-P-C4' energy: -127.043 flat angles P-C4'-P energy: -85.086 tors. eta vs tors. theta energy: -63.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1235.141021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.141021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.141021 (E_RNA) where: Base-Base interactions energy: -730.683 where: short stacking energy: -389.596 Base-Backbone interact. energy: 2.796 local terms energy: -507.254089 where: bonds (distance) C4'-P energy: -115.745 bonds (distance) P-C4' energy: -136.922 flat angles C4'-P-C4' energy: -128.435 flat angles P-C4'-P energy: -80.745 tors. eta vs tors. theta energy: -45.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -855.855629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.855629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.855629 (E_RNA) where: Base-Base interactions energy: -410.727 where: short stacking energy: -253.928 Base-Backbone interact. energy: 2.058 local terms energy: -447.187359 where: bonds (distance) C4'-P energy: -118.241 bonds (distance) P-C4' energy: -148.086 flat angles C4'-P-C4' energy: -107.581 flat angles P-C4'-P energy: -67.819 tors. eta vs tors. theta energy: -5.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -648.403248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.403248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.403248 (E_RNA) where: Base-Base interactions energy: -233.208 where: short stacking energy: -177.702 Base-Backbone interact. energy: -3.067 local terms energy: -412.128267 where: bonds (distance) C4'-P energy: -131.795 bonds (distance) P-C4' energy: -135.935 flat angles C4'-P-C4' energy: -112.743 flat angles P-C4'-P energy: -67.910 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: 1, replica: 3 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2605.563967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.563967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.563967 (E_RNA) where: Base-Base interactions energy: -1752.042 where: short stacking energy: -782.575 Base-Backbone interact. energy: -5.075 local terms energy: -848.446745 where: bonds (distance) C4'-P energy: -159.649 bonds (distance) P-C4' energy: -166.517 flat angles C4'-P-C4' energy: -186.160 flat angles P-C4'-P energy: -118.618 tors. eta vs tors. theta energy: -217.503 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: 6 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2530.626397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.626397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.626397 (E_RNA) where: Base-Base interactions energy: -1711.276 where: short stacking energy: -737.223 Base-Backbone interact. energy: -4.420 local terms energy: -814.930739 where: bonds (distance) C4'-P energy: -145.199 bonds (distance) P-C4' energy: -172.785 flat angles C4'-P-C4' energy: -177.627 flat angles P-C4'-P energy: -110.477 tors. eta vs tors. theta energy: -208.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2263.413155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.413155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.413155 (E_RNA) where: Base-Base interactions energy: -1534.025 where: short stacking energy: -642.473 Base-Backbone interact. energy: 2.447 local terms energy: -731.835315 where: bonds (distance) C4'-P energy: -159.018 bonds (distance) P-C4' energy: -143.696 flat angles C4'-P-C4' energy: -168.188 flat angles P-C4'-P energy: -100.640 tors. eta vs tors. theta energy: -160.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2127.748096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.748096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.748096 (E_RNA) where: Base-Base interactions energy: -1409.594 where: short stacking energy: -624.418 Base-Backbone interact. energy: -3.516 local terms energy: -714.637994 where: bonds (distance) C4'-P energy: -147.660 bonds (distance) P-C4' energy: -148.449 flat angles C4'-P-C4' energy: -173.714 flat angles P-C4'-P energy: -100.356 tors. eta vs tors. theta energy: -144.458 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: 2 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1964.680711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.680711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.680711 (E_RNA) where: Base-Base interactions energy: -1265.198 where: short stacking energy: -568.879 Base-Backbone interact. energy: -1.916 local terms energy: -697.566922 where: bonds (distance) C4'-P energy: -141.227 bonds (distance) P-C4' energy: -144.898 flat angles C4'-P-C4' energy: -174.796 flat angles P-C4'-P energy: -103.197 tors. eta vs tors. theta energy: -133.449 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: 1 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1739.645445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.645445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.645445 (E_RNA) where: Base-Base interactions energy: -1103.142 where: short stacking energy: -494.675 Base-Backbone interact. energy: -3.239 local terms energy: -633.264929 where: bonds (distance) C4'-P energy: -139.977 bonds (distance) P-C4' energy: -127.256 flat angles C4'-P-C4' energy: -137.025 flat angles P-C4'-P energy: -114.013 tors. eta vs tors. theta energy: -114.994 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: 7, replica: 5 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1444.984790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.984790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.984790 (E_RNA) where: Base-Base interactions energy: -904.339 where: short stacking energy: -427.689 Base-Backbone interact. energy: -0.023 local terms energy: -540.623518 where: bonds (distance) C4'-P energy: -121.723 bonds (distance) P-C4' energy: -144.820 flat angles C4'-P-C4' energy: -138.392 flat angles P-C4'-P energy: -78.629 tors. eta vs tors. theta energy: -57.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1231.301478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.301478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.301478 (E_RNA) where: Base-Base interactions energy: -699.234 where: short stacking energy: -367.587 Base-Backbone interact. energy: -3.936 local terms energy: -528.130978 where: bonds (distance) C4'-P energy: -146.448 bonds (distance) P-C4' energy: -137.739 flat angles C4'-P-C4' energy: -128.515 flat angles P-C4'-P energy: -72.066 tors. eta vs tors. theta energy: -43.363 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: 8 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -789.461106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.461106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.461106 (E_RNA) where: Base-Base interactions energy: -353.494 where: short stacking energy: -231.354 Base-Backbone interact. energy: -1.073 local terms energy: -434.894598 where: bonds (distance) C4'-P energy: -115.985 bonds (distance) P-C4' energy: -134.357 flat angles C4'-P-C4' energy: -120.804 flat angles P-C4'-P energy: -67.639 tors. eta vs tors. theta energy: 3.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -645.279360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.279360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.279360 (E_RNA) where: Base-Base interactions energy: -240.607 where: short stacking energy: -179.902 Base-Backbone interact. energy: 0.021 local terms energy: -404.693210 where: bonds (distance) C4'-P energy: -118.188 bonds (distance) P-C4' energy: -133.415 flat angles C4'-P-C4' energy: -105.780 flat angles P-C4'-P energy: -75.488 tors. eta vs tors. theta energy: 28.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2583.828866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.828866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.828866 (E_RNA) where: Base-Base interactions energy: -1740.962 where: short stacking energy: -774.262 Base-Backbone interact. energy: -0.521 local terms energy: -842.346116 where: bonds (distance) C4'-P energy: -151.308 bonds (distance) P-C4' energy: -156.162 flat angles C4'-P-C4' energy: -189.495 flat angles P-C4'-P energy: -132.401 tors. eta vs tors. theta energy: -212.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2500.006575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.006575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.006575 (E_RNA) where: Base-Base interactions energy: -1669.086 where: short stacking energy: -753.469 Base-Backbone interact. energy: -3.374 local terms energy: -827.546155 where: bonds (distance) C4'-P energy: -152.983 bonds (distance) P-C4' energy: -169.695 flat angles C4'-P-C4' energy: -171.501 flat angles P-C4'-P energy: -117.370 tors. eta vs tors. theta energy: -215.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2256.134705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.134705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.134705 (E_RNA) where: Base-Base interactions energy: -1516.030 where: short stacking energy: -683.406 Base-Backbone interact. energy: 0.828 local terms energy: -740.932714 where: bonds (distance) C4'-P energy: -143.668 bonds (distance) P-C4' energy: -142.795 flat angles C4'-P-C4' energy: -170.463 flat angles P-C4'-P energy: -115.533 tors. eta vs tors. theta energy: -168.474 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: 9 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2130.500974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.500974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.500974 (E_RNA) where: Base-Base interactions energy: -1407.096 where: short stacking energy: -617.471 Base-Backbone interact. energy: -1.392 local terms energy: -722.013415 where: bonds (distance) C4'-P energy: -127.943 bonds (distance) P-C4' energy: -158.344 flat angles C4'-P-C4' energy: -169.125 flat angles P-C4'-P energy: -113.209 tors. eta vs tors. theta energy: -153.393 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: 107 Temperature: 1.100000 Total energy: -1948.690472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.690472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.690472 (E_RNA) where: Base-Base interactions energy: -1295.090 where: short stacking energy: -544.160 Base-Backbone interact. energy: 0.639 local terms energy: -654.239654 where: bonds (distance) C4'-P energy: -140.652 bonds (distance) P-C4' energy: -158.855 flat angles C4'-P-C4' energy: -128.886 flat angles P-C4'-P energy: -93.954 tors. eta vs tors. theta energy: -131.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1720.820330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.820330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.820330 (E_RNA) where: Base-Base interactions energy: -1095.651 where: short stacking energy: -520.658 Base-Backbone interact. energy: 2.945 local terms energy: -628.114431 where: bonds (distance) C4'-P energy: -114.417 bonds (distance) P-C4' energy: -150.918 flat angles C4'-P-C4' energy: -155.419 flat angles P-C4'-P energy: -92.388 tors. eta vs tors. theta energy: -114.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1488.576525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.576525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.576525 (E_RNA) where: Base-Base interactions energy: -876.766 where: short stacking energy: -439.500 Base-Backbone interact. energy: 0.116 local terms energy: -611.926084 where: bonds (distance) C4'-P energy: -142.585 bonds (distance) P-C4' energy: -154.113 flat angles C4'-P-C4' energy: -143.066 flat angles P-C4'-P energy: -88.368 tors. eta vs tors. theta energy: -83.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1266.761769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.761769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.761769 (E_RNA) where: Base-Base interactions energy: -733.380 where: short stacking energy: -399.059 Base-Backbone interact. energy: -0.728 local terms energy: -532.653277 where: bonds (distance) C4'-P energy: -121.980 bonds (distance) P-C4' energy: -131.352 flat angles C4'-P-C4' energy: -147.275 flat angles P-C4'-P energy: -87.592 tors. eta vs tors. theta energy: -44.455 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: 9, replica: 8 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -837.427537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.427537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.427537 (E_RNA) where: Base-Base interactions energy: -378.686 where: short stacking energy: -264.001 Base-Backbone interact. energy: 4.389 local terms energy: -463.130909 where: bonds (distance) C4'-P energy: -137.615 bonds (distance) P-C4' energy: -142.885 flat angles C4'-P-C4' energy: -109.362 flat angles P-C4'-P energy: -53.006 tors. eta vs tors. theta energy: -20.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -671.154299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.154299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.154299 (E_RNA) where: Base-Base interactions energy: -240.658 where: short stacking energy: -185.660 Base-Backbone interact. energy: 0.197 local terms energy: -430.693825 where: bonds (distance) C4'-P energy: -132.707 bonds (distance) P-C4' energy: -129.221 flat angles C4'-P-C4' energy: -131.437 flat angles P-C4'-P energy: -55.285 tors. eta vs tors. theta energy: 17.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2585.303102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.303102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.303102 (E_RNA) where: Base-Base interactions energy: -1711.918 where: short stacking energy: -794.204 Base-Backbone interact. energy: -4.295 local terms energy: -869.089973 where: bonds (distance) C4'-P energy: -165.920 bonds (distance) P-C4' energy: -151.068 flat angles C4'-P-C4' energy: -185.996 flat angles P-C4'-P energy: -119.050 tors. eta vs tors. theta energy: -247.056 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: 6 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2418.667644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.667644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.667644 (E_RNA) where: Base-Base interactions energy: -1606.681 where: short stacking energy: -720.160 Base-Backbone interact. energy: -5.860 local terms energy: -806.126394 where: bonds (distance) C4'-P energy: -152.935 bonds (distance) P-C4' energy: -159.825 flat angles C4'-P-C4' energy: -173.721 flat angles P-C4'-P energy: -115.925 tors. eta vs tors. theta energy: -203.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2224.459277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.459277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.459277 (E_RNA) where: Base-Base interactions energy: -1478.549 where: short stacking energy: -672.753 Base-Backbone interact. energy: -4.241 local terms energy: -741.669088 where: bonds (distance) C4'-P energy: -142.865 bonds (distance) P-C4' energy: -137.675 flat angles C4'-P-C4' energy: -177.918 flat angles P-C4'-P energy: -102.727 tors. eta vs tors. theta energy: -180.484 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: 9 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2103.361526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.361526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.361526 (E_RNA) where: Base-Base interactions energy: -1389.616 where: short stacking energy: -652.500 Base-Backbone interact. energy: -5.803 local terms energy: -707.943224 where: bonds (distance) C4'-P energy: -144.230 bonds (distance) P-C4' energy: -163.959 flat angles C4'-P-C4' energy: -157.722 flat angles P-C4'-P energy: -87.635 tors. eta vs tors. theta energy: -154.398 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: 2 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2016.752269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.752269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.752269 (E_RNA) where: Base-Base interactions energy: -1317.510 where: short stacking energy: -591.841 Base-Backbone interact. energy: -4.682 local terms energy: -694.560397 where: bonds (distance) C4'-P energy: -151.760 bonds (distance) P-C4' energy: -151.447 flat angles C4'-P-C4' energy: -156.922 flat angles P-C4'-P energy: -86.596 tors. eta vs tors. theta energy: -147.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1717.017597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.017597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.017597 (E_RNA) where: Base-Base interactions energy: -1089.289 where: short stacking energy: -520.978 Base-Backbone interact. energy: -0.896 local terms energy: -626.832628 where: bonds (distance) C4'-P energy: -131.738 bonds (distance) P-C4' energy: -143.334 flat angles C4'-P-C4' energy: -145.724 flat angles P-C4'-P energy: -95.453 tors. eta vs tors. theta energy: -110.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1556.966685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.966685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.966685 (E_RNA) where: Base-Base interactions energy: -998.950 where: short stacking energy: -460.342 Base-Backbone interact. energy: 0.652 local terms energy: -558.668426 where: bonds (distance) C4'-P energy: -139.823 bonds (distance) P-C4' energy: -126.850 flat angles C4'-P-C4' energy: -134.309 flat angles P-C4'-P energy: -87.335 tors. eta vs tors. theta energy: -70.351 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: 4 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1263.774146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.774146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.774146 (E_RNA) where: Base-Base interactions energy: -690.740 where: short stacking energy: -365.011 Base-Backbone interact. energy: -0.440 local terms energy: -572.594004 where: bonds (distance) C4'-P energy: -145.059 bonds (distance) P-C4' energy: -143.573 flat angles C4'-P-C4' energy: -138.698 flat angles P-C4'-P energy: -87.060 tors. eta vs tors. theta energy: -58.205 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: 8 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -826.225974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.225974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.225974 (E_RNA) where: Base-Base interactions energy: -374.675 where: short stacking energy: -250.338 Base-Backbone interact. energy: 2.213 local terms energy: -453.763311 where: bonds (distance) C4'-P energy: -145.987 bonds (distance) P-C4' energy: -127.428 flat angles C4'-P-C4' energy: -111.409 flat angles P-C4'-P energy: -82.285 tors. eta vs tors. theta energy: 13.346 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: 7 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -615.462569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.462569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.462569 (E_RNA) where: Base-Base interactions energy: -240.002 where: short stacking energy: -168.093 Base-Backbone interact. energy: -0.381 local terms energy: -375.079357 where: bonds (distance) C4'-P energy: -114.200 bonds (distance) P-C4' energy: -127.035 flat angles C4'-P-C4' energy: -99.022 flat angles P-C4'-P energy: -70.976 tors. eta vs tors. theta energy: 36.153 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: 3 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2583.278002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.278002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.278002 (E_RNA) where: Base-Base interactions energy: -1730.089 where: short stacking energy: -777.325 Base-Backbone interact. energy: -1.471 local terms energy: -851.718503 where: bonds (distance) C4'-P energy: -163.373 bonds (distance) P-C4' energy: -159.682 flat angles C4'-P-C4' energy: -187.384 flat angles P-C4'-P energy: -121.180 tors. eta vs tors. theta energy: -220.099 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: 2, replica: 6 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2464.327992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.327992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.327992 (E_RNA) where: Base-Base interactions energy: -1666.049 where: short stacking energy: -712.714 Base-Backbone interact. energy: -4.541 local terms energy: -793.737246 where: bonds (distance) C4'-P energy: -143.174 bonds (distance) P-C4' energy: -167.194 flat angles C4'-P-C4' energy: -177.836 flat angles P-C4'-P energy: -98.151 tors. eta vs tors. theta energy: -207.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2205.823813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.823813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.823813 (E_RNA) where: Base-Base interactions energy: -1460.677 where: short stacking energy: -660.212 Base-Backbone interact. energy: -1.167 local terms energy: -743.979490 where: bonds (distance) C4'-P energy: -155.078 bonds (distance) P-C4' energy: -155.594 flat angles C4'-P-C4' energy: -152.208 flat angles P-C4'-P energy: -100.646 tors. eta vs tors. theta energy: -180.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2149.426889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.426889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.426889 (E_RNA) where: Base-Base interactions energy: -1382.367 where: short stacking energy: -635.603 Base-Backbone interact. energy: -1.419 local terms energy: -765.641646 where: bonds (distance) C4'-P energy: -154.152 bonds (distance) P-C4' energy: -143.060 flat angles C4'-P-C4' energy: -169.719 flat angles P-C4'-P energy: -116.096 tors. eta vs tors. theta energy: -182.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1989.123232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.123232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.123232 (E_RNA) where: Base-Base interactions energy: -1312.203 where: short stacking energy: -571.373 Base-Backbone interact. energy: -2.457 local terms energy: -674.463305 where: bonds (distance) C4'-P energy: -148.043 bonds (distance) P-C4' energy: -156.063 flat angles C4'-P-C4' energy: -130.551 flat angles P-C4'-P energy: -98.826 tors. eta vs tors. theta energy: -140.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1659.933186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.933186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.933186 (E_RNA) where: Base-Base interactions energy: -1044.403 where: short stacking energy: -478.602 Base-Backbone interact. energy: -1.352 local terms energy: -614.178733 where: bonds (distance) C4'-P energy: -156.606 bonds (distance) P-C4' energy: -137.636 flat angles C4'-P-C4' energy: -134.508 flat angles P-C4'-P energy: -91.029 tors. eta vs tors. theta energy: -94.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1565.698877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.698877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.698877 (E_RNA) where: Base-Base interactions energy: -1005.660 where: short stacking energy: -456.306 Base-Backbone interact. energy: -3.499 local terms energy: -556.540253 where: bonds (distance) C4'-P energy: -119.467 bonds (distance) P-C4' energy: -131.462 flat angles C4'-P-C4' energy: -154.740 flat angles P-C4'-P energy: -81.674 tors. eta vs tors. theta energy: -69.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1248.538092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.538092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.538092 (E_RNA) where: Base-Base interactions energy: -735.840 where: short stacking energy: -355.900 Base-Backbone interact. energy: -0.851 local terms energy: -511.847809 where: bonds (distance) C4'-P energy: -140.001 bonds (distance) P-C4' energy: -135.187 flat angles C4'-P-C4' energy: -138.562 flat angles P-C4'-P energy: -57.117 tors. eta vs tors. theta energy: -40.982 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: 8 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -803.877736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.877736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.877736 (E_RNA) where: Base-Base interactions energy: -360.997 where: short stacking energy: -235.356 Base-Backbone interact. energy: 6.774 local terms energy: -449.654251 where: bonds (distance) C4'-P energy: -141.443 bonds (distance) P-C4' energy: -140.199 flat angles C4'-P-C4' energy: -125.332 flat angles P-C4'-P energy: -58.594 tors. eta vs tors. theta energy: 15.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -673.801397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.801397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.801397 (E_RNA) where: Base-Base interactions energy: -220.417 where: short stacking energy: -173.625 Base-Backbone interact. energy: -1.794 local terms energy: -451.590136 where: bonds (distance) C4'-P energy: -142.453 bonds (distance) P-C4' energy: -142.662 flat angles C4'-P-C4' energy: -122.494 flat angles P-C4'-P energy: -67.744 tors. eta vs tors. theta energy: 23.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2595.622470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.622470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.622470 (E_RNA) where: Base-Base interactions energy: -1742.630 where: short stacking energy: -773.340 Base-Backbone interact. energy: -2.120 local terms energy: -850.872962 where: bonds (distance) C4'-P energy: -154.632 bonds (distance) P-C4' energy: -171.059 flat angles C4'-P-C4' energy: -178.065 flat angles P-C4'-P energy: -118.614 tors. eta vs tors. theta energy: -228.502 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: 6 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2448.106768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.106768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.106768 (E_RNA) where: Base-Base interactions energy: -1640.341 where: short stacking energy: -743.111 Base-Backbone interact. energy: -2.268 local terms energy: -805.497322 where: bonds (distance) C4'-P energy: -150.949 bonds (distance) P-C4' energy: -148.612 flat angles C4'-P-C4' energy: -171.862 flat angles P-C4'-P energy: -125.356 tors. eta vs tors. theta energy: -208.718 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: 3, replica: 10 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2254.416121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.416121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.416121 (E_RNA) where: Base-Base interactions energy: -1522.739 where: short stacking energy: -696.956 Base-Backbone interact. energy: -3.147 local terms energy: -728.530082 where: bonds (distance) C4'-P energy: -147.904 bonds (distance) P-C4' energy: -146.381 flat angles C4'-P-C4' energy: -143.849 flat angles P-C4'-P energy: -120.105 tors. eta vs tors. theta energy: -170.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2149.529744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.529744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.529744 (E_RNA) where: Base-Base interactions energy: -1395.455 where: short stacking energy: -626.870 Base-Backbone interact. energy: -2.571 local terms energy: -751.503356 where: bonds (distance) C4'-P energy: -145.206 bonds (distance) P-C4' energy: -163.279 flat angles C4'-P-C4' energy: -170.131 flat angles P-C4'-P energy: -105.917 tors. eta vs tors. theta energy: -166.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1963.808233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.808233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.808233 (E_RNA) where: Base-Base interactions energy: -1268.601 where: short stacking energy: -588.374 Base-Backbone interact. energy: -0.497 local terms energy: -694.709540 where: bonds (distance) C4'-P energy: -149.033 bonds (distance) P-C4' energy: -134.768 flat angles C4'-P-C4' energy: -161.745 flat angles P-C4'-P energy: -99.808 tors. eta vs tors. theta energy: -149.355 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: 6, replica: 1 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1746.434624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.434624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.434624 (E_RNA) where: Base-Base interactions energy: -1093.465 where: short stacking energy: -494.424 Base-Backbone interact. energy: -0.935 local terms energy: -652.034593 where: bonds (distance) C4'-P energy: -147.869 bonds (distance) P-C4' energy: -163.127 flat angles C4'-P-C4' energy: -145.001 flat angles P-C4'-P energy: -80.672 tors. eta vs tors. theta energy: -115.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1697.150986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.150986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.150986 (E_RNA) where: Base-Base interactions energy: -1091.579 where: short stacking energy: -481.927 Base-Backbone interact. energy: -0.791 local terms energy: -604.781119 where: bonds (distance) C4'-P energy: -126.054 bonds (distance) P-C4' energy: -137.385 flat angles C4'-P-C4' energy: -150.166 flat angles P-C4'-P energy: -85.746 tors. eta vs tors. theta energy: -105.430 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: 4 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1156.001395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.001395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.001395 (E_RNA) where: Base-Base interactions energy: -646.312 where: short stacking energy: -319.368 Base-Backbone interact. energy: -1.405 local terms energy: -508.284330 where: bonds (distance) C4'-P energy: -113.824 bonds (distance) P-C4' energy: -146.083 flat angles C4'-P-C4' energy: -117.586 flat angles P-C4'-P energy: -88.892 tors. eta vs tors. theta energy: -41.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -795.286599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.286599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.286599 (E_RNA) where: Base-Base interactions energy: -380.246 where: short stacking energy: -242.790 Base-Backbone interact. energy: -3.557 local terms energy: -411.483596 where: bonds (distance) C4'-P energy: -114.495 bonds (distance) P-C4' energy: -132.726 flat angles C4'-P-C4' energy: -107.445 flat angles P-C4'-P energy: -71.395 tors. eta vs tors. theta energy: 14.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -612.177713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.177713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.177713 (E_RNA) where: Base-Base interactions energy: -204.997 where: short stacking energy: -166.956 Base-Backbone interact. energy: 0.715 local terms energy: -407.895670 where: bonds (distance) C4'-P energy: -145.202 bonds (distance) P-C4' energy: -127.278 flat angles C4'-P-C4' energy: -99.139 flat angles P-C4'-P energy: -68.286 tors. eta vs tors. theta energy: 32.010 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: 3 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2584.358795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.358795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.358795 (E_RNA) where: Base-Base interactions energy: -1752.605 where: short stacking energy: -800.066 Base-Backbone interact. energy: -4.624 local terms energy: -827.130628 where: bonds (distance) C4'-P energy: -147.248 bonds (distance) P-C4' energy: -160.198 flat angles C4'-P-C4' energy: -184.110 flat angles P-C4'-P energy: -116.823 tors. eta vs tors. theta energy: -218.752 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: 2, replica: 6 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2429.894637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.894637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.894637 (E_RNA) where: Base-Base interactions energy: -1635.540 where: short stacking energy: -709.373 Base-Backbone interact. energy: -4.068 local terms energy: -790.286846 where: bonds (distance) C4'-P energy: -140.226 bonds (distance) P-C4' energy: -153.136 flat angles C4'-P-C4' energy: -185.610 flat angles P-C4'-P energy: -97.813 tors. eta vs tors. theta energy: -213.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2213.559660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.559660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.559660 (E_RNA) where: Base-Base interactions energy: -1466.737 where: short stacking energy: -664.222 Base-Backbone interact. energy: -2.466 local terms energy: -744.356536 where: bonds (distance) C4'-P energy: -169.688 bonds (distance) P-C4' energy: -157.628 flat angles C4'-P-C4' energy: -166.516 flat angles P-C4'-P energy: -91.676 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: 4, replica: 9 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2109.698901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.698901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.698901 (E_RNA) where: Base-Base interactions energy: -1414.942 where: short stacking energy: -631.763 Base-Backbone interact. energy: -0.005 local terms energy: -694.751608 where: bonds (distance) C4'-P energy: -131.596 bonds (distance) P-C4' energy: -154.059 flat angles C4'-P-C4' energy: -160.271 flat angles P-C4'-P energy: -91.092 tors. eta vs tors. theta energy: -157.733 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: 2 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1942.209213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.209213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.209213 (E_RNA) where: Base-Base interactions energy: -1239.967 where: short stacking energy: -572.770 Base-Backbone interact. energy: 0.675 local terms energy: -702.917452 where: bonds (distance) C4'-P energy: -132.096 bonds (distance) P-C4' energy: -145.548 flat angles C4'-P-C4' energy: -158.085 flat angles P-C4'-P energy: -117.206 tors. eta vs tors. theta energy: -149.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1732.683439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.683439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.683439 (E_RNA) where: Base-Base interactions energy: -1106.135 where: short stacking energy: -505.228 Base-Backbone interact. energy: -1.186 local terms energy: -625.362638 where: bonds (distance) C4'-P energy: -136.170 bonds (distance) P-C4' energy: -159.949 flat angles C4'-P-C4' energy: -123.137 flat angles P-C4'-P energy: -94.879 tors. eta vs tors. theta energy: -111.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1652.068675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.068675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.068675 (E_RNA) where: Base-Base interactions energy: -1040.891 where: short stacking energy: -485.584 Base-Backbone interact. energy: 1.237 local terms energy: -612.414585 where: bonds (distance) C4'-P energy: -133.646 bonds (distance) P-C4' energy: -147.027 flat angles C4'-P-C4' energy: -139.260 flat angles P-C4'-P energy: -87.813 tors. eta vs tors. theta energy: -104.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1150.231967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.231967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.231967 (E_RNA) where: Base-Base interactions energy: -627.215 where: short stacking energy: -341.003 Base-Backbone interact. energy: 3.446 local terms energy: -526.462531 where: bonds (distance) C4'-P energy: -140.430 bonds (distance) P-C4' energy: -156.257 flat angles C4'-P-C4' energy: -117.226 flat angles P-C4'-P energy: -85.410 tors. eta vs tors. theta energy: -27.140 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: 8 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -777.732040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.732040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.732040 (E_RNA) where: Base-Base interactions energy: -345.592 where: short stacking energy: -238.471 Base-Backbone interact. energy: -3.081 local terms energy: -429.058567 where: bonds (distance) C4'-P energy: -132.312 bonds (distance) P-C4' energy: -125.859 flat angles C4'-P-C4' energy: -114.392 flat angles P-C4'-P energy: -75.023 tors. eta vs tors. theta energy: 18.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -612.975526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.975526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.975526 (E_RNA) where: Base-Base interactions energy: -213.788 where: short stacking energy: -156.594 Base-Backbone interact. energy: 0.660 local terms energy: -399.847224 where: bonds (distance) C4'-P energy: -121.930 bonds (distance) P-C4' energy: -135.273 flat angles C4'-P-C4' energy: -97.520 flat angles P-C4'-P energy: -66.839 tors. eta vs tors. theta energy: 21.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2600.848373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.848373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.848373 (E_RNA) where: Base-Base interactions energy: -1747.117 where: short stacking energy: -807.573 Base-Backbone interact. energy: -0.811 local terms energy: -852.920450 where: bonds (distance) C4'-P energy: -152.796 bonds (distance) P-C4' energy: -158.871 flat angles C4'-P-C4' energy: -187.815 flat angles P-C4'-P energy: -131.086 tors. eta vs tors. theta energy: -222.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2433.140702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.140702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.140702 (E_RNA) where: Base-Base interactions energy: -1603.427 where: short stacking energy: -714.869 Base-Backbone interact. energy: -5.787 local terms energy: -823.926674 where: bonds (distance) C4'-P energy: -147.296 bonds (distance) P-C4' energy: -176.801 flat angles C4'-P-C4' energy: -181.933 flat angles P-C4'-P energy: -118.698 tors. eta vs tors. theta energy: -199.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2240.681862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.681862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.681862 (E_RNA) where: Base-Base interactions energy: -1515.289 where: short stacking energy: -654.645 Base-Backbone interact. energy: -2.362 local terms energy: -723.030851 where: bonds (distance) C4'-P energy: -139.460 bonds (distance) P-C4' energy: -137.182 flat angles C4'-P-C4' energy: -170.605 flat angles P-C4'-P energy: -122.620 tors. eta vs tors. theta energy: -153.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2144.750824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.750824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.750824 (E_RNA) where: Base-Base interactions energy: -1413.419 where: short stacking energy: -651.253 Base-Backbone interact. energy: -4.527 local terms energy: -726.804491 where: bonds (distance) C4'-P energy: -147.158 bonds (distance) P-C4' energy: -157.943 flat angles C4'-P-C4' energy: -160.185 flat angles P-C4'-P energy: -93.807 tors. eta vs tors. theta energy: -167.712 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: 2 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1957.646189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.646189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.646189 (E_RNA) where: Base-Base interactions energy: -1279.738 where: short stacking energy: -570.671 Base-Backbone interact. energy: -0.742 local terms energy: -677.165846 where: bonds (distance) C4'-P energy: -124.179 bonds (distance) P-C4' energy: -150.341 flat angles C4'-P-C4' energy: -158.122 flat angles P-C4'-P energy: -99.563 tors. eta vs tors. theta energy: -144.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1759.226672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.226672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.226672 (E_RNA) where: Base-Base interactions energy: -1139.644 where: short stacking energy: -514.734 Base-Backbone interact. energy: 2.078 local terms energy: -621.660829 where: bonds (distance) C4'-P energy: -141.675 bonds (distance) P-C4' energy: -127.360 flat angles C4'-P-C4' energy: -153.038 flat angles P-C4'-P energy: -85.662 tors. eta vs tors. theta energy: -113.925 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: 112 Temperature: 1.200000 Total energy: -1642.017534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.017534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.017534 (E_RNA) where: Base-Base interactions energy: -1061.204 where: short stacking energy: -487.513 Base-Backbone interact. energy: -4.306 local terms energy: -576.507553 where: bonds (distance) C4'-P energy: -123.420 bonds (distance) P-C4' energy: -137.155 flat angles C4'-P-C4' energy: -170.608 flat angles P-C4'-P energy: -60.981 tors. eta vs tors. theta energy: -84.344 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: 4 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1043.638144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.638144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.638144 (E_RNA) where: Base-Base interactions energy: -565.567 where: short stacking energy: -314.948 Base-Backbone interact. energy: -2.434 local terms energy: -475.637090 where: bonds (distance) C4'-P energy: -120.831 bonds (distance) P-C4' energy: -125.783 flat angles C4'-P-C4' energy: -114.815 flat angles P-C4'-P energy: -87.676 tors. eta vs tors. theta energy: -26.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -859.634331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.634331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.634331 (E_RNA) where: Base-Base interactions energy: -421.510 where: short stacking energy: -255.952 Base-Backbone interact. energy: -0.987 local terms energy: -437.137773 where: bonds (distance) C4'-P energy: -143.394 bonds (distance) P-C4' energy: -141.244 flat angles C4'-P-C4' energy: -101.373 flat angles P-C4'-P energy: -60.367 tors. eta vs tors. theta energy: 9.241 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: 7 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -627.394995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.394995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.394995 (E_RNA) where: Base-Base interactions energy: -231.876 where: short stacking energy: -180.626 Base-Backbone interact. energy: 6.361 local terms energy: -401.879440 where: bonds (distance) C4'-P energy: -124.321 bonds (distance) P-C4' energy: -142.275 flat angles C4'-P-C4' energy: -85.923 flat angles P-C4'-P energy: -60.851 tors. eta vs tors. theta energy: 11.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2641.714714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.714714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.714714 (E_RNA) where: Base-Base interactions energy: -1763.397 where: short stacking energy: -781.924 Base-Backbone interact. energy: -4.581 local terms energy: -873.736747 where: bonds (distance) C4'-P energy: -159.666 bonds (distance) P-C4' energy: -165.926 flat angles C4'-P-C4' energy: -187.303 flat angles P-C4'-P energy: -133.082 tors. eta vs tors. theta energy: -227.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2456.887256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.887256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.887256 (E_RNA) where: Base-Base interactions energy: -1648.878 where: short stacking energy: -723.114 Base-Backbone interact. energy: -4.095 local terms energy: -803.914166 where: bonds (distance) C4'-P energy: -174.725 bonds (distance) P-C4' energy: -147.310 flat angles C4'-P-C4' energy: -171.905 flat angles P-C4'-P energy: -115.239 tors. eta vs tors. theta energy: -194.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2197.664373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.664373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.664373 (E_RNA) where: Base-Base interactions energy: -1436.815 where: short stacking energy: -666.720 Base-Backbone interact. energy: -2.809 local terms energy: -758.039803 where: bonds (distance) C4'-P energy: -174.398 bonds (distance) P-C4' energy: -156.875 flat angles C4'-P-C4' energy: -157.510 flat angles P-C4'-P energy: -97.776 tors. eta vs tors. theta energy: -171.481 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: 9 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2160.687860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.687860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.687860 (E_RNA) where: Base-Base interactions energy: -1439.016 where: short stacking energy: -642.130 Base-Backbone interact. energy: 1.152 local terms energy: -722.823262 where: bonds (distance) C4'-P energy: -141.625 bonds (distance) P-C4' energy: -157.018 flat angles C4'-P-C4' energy: -148.198 flat angles P-C4'-P energy: -104.446 tors. eta vs tors. theta energy: -171.536 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: 2 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1946.251591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.251591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.251591 (E_RNA) where: Base-Base interactions energy: -1263.195 where: short stacking energy: -592.912 Base-Backbone interact. energy: 7.878 local terms energy: -690.933951 where: bonds (distance) C4'-P energy: -141.240 bonds (distance) P-C4' energy: -147.062 flat angles C4'-P-C4' energy: -160.504 flat angles P-C4'-P energy: -103.254 tors. eta vs tors. theta energy: -138.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1814.529533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.529533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.529533 (E_RNA) where: Base-Base interactions energy: -1176.482 where: short stacking energy: -539.048 Base-Backbone interact. energy: 0.927 local terms energy: -638.975205 where: bonds (distance) C4'-P energy: -133.242 bonds (distance) P-C4' energy: -132.094 flat angles C4'-P-C4' energy: -144.011 flat angles P-C4'-P energy: -97.674 tors. eta vs tors. theta energy: -131.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1611.478305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.478305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.478305 (E_RNA) where: Base-Base interactions energy: -1034.828 where: short stacking energy: -462.760 Base-Backbone interact. energy: 4.875 local terms energy: -581.525848 where: bonds (distance) C4'-P energy: -126.958 bonds (distance) P-C4' energy: -141.623 flat angles C4'-P-C4' energy: -137.484 flat angles P-C4'-P energy: -90.422 tors. eta vs tors. theta energy: -85.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1231.591418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.591418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.591418 (E_RNA) where: Base-Base interactions energy: -706.100 where: short stacking energy: -355.440 Base-Backbone interact. energy: -0.803 local terms energy: -524.688753 where: bonds (distance) C4'-P energy: -92.621 bonds (distance) P-C4' energy: -145.086 flat angles C4'-P-C4' energy: -137.821 flat angles P-C4'-P energy: -74.663 tors. eta vs tors. theta energy: -74.498 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: 8 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -1014.629623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.629623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.629623 (E_RNA) where: Base-Base interactions energy: -575.108 where: short stacking energy: -295.945 Base-Backbone interact. energy: 0.459 local terms energy: -439.980021 where: bonds (distance) C4'-P energy: -125.846 bonds (distance) P-C4' energy: -132.642 flat angles C4'-P-C4' energy: -119.391 flat angles P-C4'-P energy: -50.220 tors. eta vs tors. theta energy: -11.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -609.777542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.777542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.777542 (E_RNA) where: Base-Base interactions energy: -249.328 where: short stacking energy: -172.686 Base-Backbone interact. energy: 1.458 local terms energy: -361.907903 where: bonds (distance) C4'-P energy: -110.256 bonds (distance) P-C4' energy: -147.404 flat angles C4'-P-C4' energy: -68.100 flat angles P-C4'-P energy: -58.531 tors. eta vs tors. theta energy: 22.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2616.661889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.661889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.661889 (E_RNA) where: Base-Base interactions energy: -1744.451 where: short stacking energy: -779.750 Base-Backbone interact. energy: -2.864 local terms energy: -869.346420 where: bonds (distance) C4'-P energy: -164.076 bonds (distance) P-C4' energy: -168.079 flat angles C4'-P-C4' energy: -190.167 flat angles P-C4'-P energy: -122.499 tors. eta vs tors. theta energy: -224.525 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: 114 Temperature: 0.950000 Total energy: -2495.338849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.338849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.338849 (E_RNA) where: Base-Base interactions energy: -1697.637 where: short stacking energy: -733.223 Base-Backbone interact. energy: 0.196 local terms energy: -797.898179 where: bonds (distance) C4'-P energy: -141.395 bonds (distance) P-C4' energy: -157.698 flat angles C4'-P-C4' energy: -185.557 flat angles P-C4'-P energy: -113.348 tors. eta vs tors. theta energy: -199.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2269.438332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.438332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.438332 (E_RNA) where: Base-Base interactions energy: -1505.350 where: short stacking energy: -696.483 Base-Backbone interact. energy: -0.883 local terms energy: -763.205263 where: bonds (distance) C4'-P energy: -163.053 bonds (distance) P-C4' energy: -142.948 flat angles C4'-P-C4' energy: -166.132 flat angles P-C4'-P energy: -109.501 tors. eta vs tors. theta energy: -181.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2126.114843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.114843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.114843 (E_RNA) where: Base-Base interactions energy: -1366.103 where: short stacking energy: -632.966 Base-Backbone interact. energy: 3.779 local terms energy: -763.790289 where: bonds (distance) C4'-P energy: -139.191 bonds (distance) P-C4' energy: -158.690 flat angles C4'-P-C4' energy: -176.958 flat angles P-C4'-P energy: -125.713 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: 5, replica: 2 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1919.128146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.128146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.128146 (E_RNA) where: Base-Base interactions energy: -1239.290 where: short stacking energy: -581.902 Base-Backbone interact. energy: 1.355 local terms energy: -681.193319 where: bonds (distance) C4'-P energy: -124.920 bonds (distance) P-C4' energy: -155.112 flat angles C4'-P-C4' energy: -164.498 flat angles P-C4'-P energy: -96.839 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: 6, replica: 1 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1826.739723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.739723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.739723 (E_RNA) where: Base-Base interactions energy: -1171.996 where: short stacking energy: -547.314 Base-Backbone interact. energy: -3.164 local terms energy: -651.579265 where: bonds (distance) C4'-P energy: -130.746 bonds (distance) P-C4' energy: -123.610 flat angles C4'-P-C4' energy: -160.436 flat angles P-C4'-P energy: -109.770 tors. eta vs tors. theta energy: -127.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1627.933385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.933385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.933385 (E_RNA) where: Base-Base interactions energy: -1035.391 where: short stacking energy: -470.031 Base-Backbone interact. energy: -3.995 local terms energy: -588.547235 where: bonds (distance) C4'-P energy: -121.180 bonds (distance) P-C4' energy: -154.514 flat angles C4'-P-C4' energy: -151.695 flat angles P-C4'-P energy: -79.304 tors. eta vs tors. theta energy: -81.854 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: 4 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1267.015464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.015464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.015464 (E_RNA) where: Base-Base interactions energy: -720.475 where: short stacking energy: -374.634 Base-Backbone interact. energy: -2.325 local terms energy: -544.214687 where: bonds (distance) C4'-P energy: -129.174 bonds (distance) P-C4' energy: -141.454 flat angles C4'-P-C4' energy: -137.825 flat angles P-C4'-P energy: -74.203 tors. eta vs tors. theta energy: -61.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -978.874312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.874312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.874312 (E_RNA) where: Base-Base interactions energy: -524.122 where: short stacking energy: -299.393 Base-Backbone interact. energy: -0.056 local terms energy: -454.695948 where: bonds (distance) C4'-P energy: -121.105 bonds (distance) P-C4' energy: -139.499 flat angles C4'-P-C4' energy: -103.909 flat angles P-C4'-P energy: -80.843 tors. eta vs tors. theta energy: -9.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -605.862607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.862607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.862607 (E_RNA) where: Base-Base interactions energy: -217.084 where: short stacking energy: -193.246 Base-Backbone interact. energy: -2.435 local terms energy: -386.343627 where: bonds (distance) C4'-P energy: -132.219 bonds (distance) P-C4' energy: -124.923 flat angles C4'-P-C4' energy: -100.716 flat angles P-C4'-P energy: -71.461 tors. eta vs tors. theta energy: 42.974 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: 1, replica: 3 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2607.712188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.712188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.712188 (E_RNA) where: Base-Base interactions energy: -1734.547 where: short stacking energy: -760.964 Base-Backbone interact. energy: -5.367 local terms energy: -867.798459 where: bonds (distance) C4'-P energy: -178.071 bonds (distance) P-C4' energy: -163.922 flat angles C4'-P-C4' energy: -181.612 flat angles P-C4'-P energy: -130.872 tors. eta vs tors. theta energy: -213.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2482.802257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.802257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.802257 (E_RNA) where: Base-Base interactions energy: -1683.182 where: short stacking energy: -721.028 Base-Backbone interact. energy: -8.191 local terms energy: -791.429951 where: bonds (distance) C4'-P energy: -157.953 bonds (distance) P-C4' energy: -168.948 flat angles C4'-P-C4' energy: -158.522 flat angles P-C4'-P energy: -108.158 tors. eta vs tors. theta energy: -197.850 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: 9 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2286.532347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.532347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.532347 (E_RNA) where: Base-Base interactions energy: -1494.374 where: short stacking energy: -666.405 Base-Backbone interact. energy: -2.106 local terms energy: -790.052042 where: bonds (distance) C4'-P energy: -144.563 bonds (distance) P-C4' energy: -163.277 flat angles C4'-P-C4' energy: -170.424 flat angles P-C4'-P energy: -114.040 tors. eta vs tors. theta energy: -197.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2099.872710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.872710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.872710 (E_RNA) where: Base-Base interactions energy: -1393.117 where: short stacking energy: -637.837 Base-Backbone interact. energy: -1.332 local terms energy: -705.423673 where: bonds (distance) C4'-P energy: -140.351 bonds (distance) P-C4' energy: -168.012 flat angles C4'-P-C4' energy: -139.498 flat angles P-C4'-P energy: -99.721 tors. eta vs tors. theta energy: -157.842 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: 10 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -2050.504343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.504343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.504343 (E_RNA) where: Base-Base interactions energy: -1303.925 where: short stacking energy: -583.995 Base-Backbone interact. energy: -2.212 local terms energy: -744.366734 where: bonds (distance) C4'-P energy: -146.818 bonds (distance) P-C4' energy: -163.632 flat angles C4'-P-C4' energy: -162.569 flat angles P-C4'-P energy: -119.812 tors. eta vs tors. theta energy: -151.536 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: 1 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1823.306970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.306970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.306970 (E_RNA) where: Base-Base interactions energy: -1192.818 where: short stacking energy: -546.427 Base-Backbone interact. energy: -0.419 local terms energy: -630.070124 where: bonds (distance) C4'-P energy: -132.184 bonds (distance) P-C4' energy: -124.266 flat angles C4'-P-C4' energy: -154.363 flat angles P-C4'-P energy: -90.671 tors. eta vs tors. theta energy: -128.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1590.036366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.036366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.036366 (E_RNA) where: Base-Base interactions energy: -980.093 where: short stacking energy: -470.661 Base-Backbone interact. energy: -1.862 local terms energy: -608.081041 where: bonds (distance) C4'-P energy: -128.707 bonds (distance) P-C4' energy: -147.250 flat angles C4'-P-C4' energy: -146.860 flat angles P-C4'-P energy: -94.356 tors. eta vs tors. theta energy: -90.908 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: 4 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1256.059992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.059992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.059992 (E_RNA) where: Base-Base interactions energy: -724.963 where: short stacking energy: -355.400 Base-Backbone interact. energy: -0.446 local terms energy: -530.651324 where: bonds (distance) C4'-P energy: -114.604 bonds (distance) P-C4' energy: -130.130 flat angles C4'-P-C4' energy: -131.433 flat angles P-C4'-P energy: -94.010 tors. eta vs tors. theta energy: -60.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -866.360716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.360716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.360716 (E_RNA) where: Base-Base interactions energy: -438.307 where: short stacking energy: -240.147 Base-Backbone interact. energy: -5.470 local terms energy: -422.583974 where: bonds (distance) C4'-P energy: -135.400 bonds (distance) P-C4' energy: -142.295 flat angles C4'-P-C4' energy: -101.173 flat angles P-C4'-P energy: -50.013 tors. eta vs tors. theta energy: 6.297 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: 7 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -646.218619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.218619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.218619 (E_RNA) where: Base-Base interactions energy: -221.906 where: short stacking energy: -169.720 Base-Backbone interact. energy: -4.228 local terms energy: -420.084460 where: bonds (distance) C4'-P energy: -129.320 bonds (distance) P-C4' energy: -147.263 flat angles C4'-P-C4' energy: -79.207 flat angles P-C4'-P energy: -64.124 tors. eta vs tors. theta energy: -0.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2676.170310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.170310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.170310 (E_RNA) where: Base-Base interactions energy: -1775.994 where: short stacking energy: -777.072 Base-Backbone interact. energy: -3.381 local terms energy: -896.795562 where: bonds (distance) C4'-P energy: -180.776 bonds (distance) P-C4' energy: -172.101 flat angles C4'-P-C4' energy: -183.497 flat angles P-C4'-P energy: -133.084 tors. eta vs tors. theta energy: -227.338 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: 6 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2509.814706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.814706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.814706 (E_RNA) where: Base-Base interactions energy: -1699.407 where: short stacking energy: -784.178 Base-Backbone interact. energy: 0.088 local terms energy: -810.496109 where: bonds (distance) C4'-P energy: -158.519 bonds (distance) P-C4' energy: -151.559 flat angles C4'-P-C4' energy: -177.911 flat angles P-C4'-P energy: -105.949 tors. eta vs tors. theta energy: -216.558 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: 3, replica: 9 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2268.349778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.349778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.349778 (E_RNA) where: Base-Base interactions energy: -1501.402 where: short stacking energy: -676.722 Base-Backbone interact. energy: -1.884 local terms energy: -765.063681 where: bonds (distance) C4'-P energy: -138.233 bonds (distance) P-C4' energy: -143.472 flat angles C4'-P-C4' energy: -175.382 flat angles P-C4'-P energy: -112.862 tors. eta vs tors. theta energy: -195.115 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: 2 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2084.530555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.530555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.530555 (E_RNA) where: Base-Base interactions energy: -1343.852 where: short stacking energy: -594.658 Base-Backbone interact. energy: 1.739 local terms energy: -742.418299 where: bonds (distance) C4'-P energy: -149.362 bonds (distance) P-C4' energy: -163.551 flat angles C4'-P-C4' energy: -171.583 flat angles P-C4'-P energy: -108.998 tors. eta vs tors. theta energy: -148.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1994.211499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.211499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.211499 (E_RNA) where: Base-Base interactions energy: -1292.874 where: short stacking energy: -584.199 Base-Backbone interact. energy: -0.225 local terms energy: -701.112156 where: bonds (distance) C4'-P energy: -139.243 bonds (distance) P-C4' energy: -147.388 flat angles C4'-P-C4' energy: -159.945 flat angles P-C4'-P energy: -97.024 tors. eta vs tors. theta energy: -157.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1899.158380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.158380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.158380 (E_RNA) where: Base-Base interactions energy: -1240.608 where: short stacking energy: -575.609 Base-Backbone interact. energy: 0.120 local terms energy: -658.670341 where: bonds (distance) C4'-P energy: -135.229 bonds (distance) P-C4' energy: -137.118 flat angles C4'-P-C4' energy: -153.616 flat angles P-C4'-P energy: -89.415 tors. eta vs tors. theta energy: -143.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1504.627544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.627544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.627544 (E_RNA) where: Base-Base interactions energy: -929.314 where: short stacking energy: -442.493 Base-Backbone interact. energy: 0.500 local terms energy: -575.814289 where: bonds (distance) C4'-P energy: -134.583 bonds (distance) P-C4' energy: -129.132 flat angles C4'-P-C4' energy: -135.232 flat angles P-C4'-P energy: -96.384 tors. eta vs tors. theta energy: -80.483 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: 8, replica: 4 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1213.537494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.537494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.537494 (E_RNA) where: Base-Base interactions energy: -662.075 where: short stacking energy: -334.098 Base-Backbone interact. energy: 2.320 local terms energy: -553.782688 where: bonds (distance) C4'-P energy: -149.572 bonds (distance) P-C4' energy: -143.298 flat angles C4'-P-C4' energy: -140.462 flat angles P-C4'-P energy: -86.676 tors. eta vs tors. theta energy: -33.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -944.721019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.721019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.721019 (E_RNA) where: Base-Base interactions energy: -502.971 where: short stacking energy: -272.810 Base-Backbone interact. energy: -1.460 local terms energy: -440.289635 where: bonds (distance) C4'-P energy: -141.234 bonds (distance) P-C4' energy: -109.427 flat angles C4'-P-C4' energy: -100.438 flat angles P-C4'-P energy: -63.225 tors. eta vs tors. theta energy: -25.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -600.345401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.345401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.345401 (E_RNA) where: Base-Base interactions energy: -218.180 where: short stacking energy: -174.948 Base-Backbone interact. energy: 1.946 local terms energy: -384.112137 where: bonds (distance) C4'-P energy: -116.156 bonds (distance) P-C4' energy: -133.290 flat angles C4'-P-C4' energy: -114.161 flat angles P-C4'-P energy: -64.807 tors. eta vs tors. theta energy: 44.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2666.068998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.068998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.068998 (E_RNA) where: Base-Base interactions energy: -1785.137 where: short stacking energy: -821.537 Base-Backbone interact. energy: -4.581 local terms energy: -876.350396 where: bonds (distance) C4'-P energy: -164.620 bonds (distance) P-C4' energy: -166.749 flat angles C4'-P-C4' energy: -193.443 flat angles P-C4'-P energy: -113.689 tors. eta vs tors. theta energy: -237.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2485.000768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.000768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.000768 (E_RNA) where: Base-Base interactions energy: -1672.605 where: short stacking energy: -711.066 Base-Backbone interact. energy: -5.860 local terms energy: -806.535803 where: bonds (distance) C4'-P energy: -166.736 bonds (distance) P-C4' energy: -163.857 flat angles C4'-P-C4' energy: -176.911 flat angles P-C4'-P energy: -102.248 tors. eta vs tors. theta energy: -196.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2257.241820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.241820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.241820 (E_RNA) where: Base-Base interactions energy: -1497.162 where: short stacking energy: -678.211 Base-Backbone interact. energy: -3.999 local terms energy: -756.080513 where: bonds (distance) C4'-P energy: -150.698 bonds (distance) P-C4' energy: -159.130 flat angles C4'-P-C4' energy: -166.657 flat angles P-C4'-P energy: -98.580 tors. eta vs tors. theta energy: -181.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2058.392848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.392848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.392848 (E_RNA) where: Base-Base interactions energy: -1376.115 where: short stacking energy: -615.304 Base-Backbone interact. energy: -2.702 local terms energy: -679.575393 where: bonds (distance) C4'-P energy: -136.585 bonds (distance) P-C4' energy: -146.850 flat angles C4'-P-C4' energy: -145.591 flat angles P-C4'-P energy: -90.081 tors. eta vs tors. theta energy: -160.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1897.309568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.309568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.309568 (E_RNA) where: Base-Base interactions energy: -1194.653 where: short stacking energy: -575.647 Base-Backbone interact. energy: 1.302 local terms energy: -703.959328 where: bonds (distance) C4'-P energy: -141.402 bonds (distance) P-C4' energy: -149.617 flat angles C4'-P-C4' energy: -168.066 flat angles P-C4'-P energy: -101.141 tors. eta vs tors. theta energy: -143.733 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: 1 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1879.984769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.984769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.984769 (E_RNA) where: Base-Base interactions energy: -1201.448 where: short stacking energy: -560.973 Base-Backbone interact. energy: -3.459 local terms energy: -675.078573 where: bonds (distance) C4'-P energy: -145.920 bonds (distance) P-C4' energy: -148.049 flat angles C4'-P-C4' energy: -147.979 flat angles P-C4'-P energy: -92.639 tors. eta vs tors. theta energy: -140.490 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: 117 Temperature: 1.200000 Total energy: -1516.163683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.163683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.163683 (E_RNA) where: Base-Base interactions energy: -926.773 where: short stacking energy: -455.232 Base-Backbone interact. energy: -1.700 local terms energy: -587.691245 where: bonds (distance) C4'-P energy: -130.913 bonds (distance) P-C4' energy: -143.723 flat angles C4'-P-C4' energy: -135.160 flat angles P-C4'-P energy: -91.509 tors. eta vs tors. theta energy: -86.387 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: 4 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1184.170318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.170318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.170318 (E_RNA) where: Base-Base interactions energy: -670.680 where: short stacking energy: -347.219 Base-Backbone interact. energy: 0.254 local terms energy: -513.744697 where: bonds (distance) C4'-P energy: -123.460 bonds (distance) P-C4' energy: -144.052 flat angles C4'-P-C4' energy: -134.029 flat angles P-C4'-P energy: -80.573 tors. eta vs tors. theta energy: -31.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -885.317595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.317595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.317595 (E_RNA) where: Base-Base interactions energy: -422.552 where: short stacking energy: -259.388 Base-Backbone interact. energy: 3.162 local terms energy: -465.927453 where: bonds (distance) C4'-P energy: -137.306 bonds (distance) P-C4' energy: -127.139 flat angles C4'-P-C4' energy: -136.246 flat angles P-C4'-P energy: -66.290 tors. eta vs tors. theta energy: 1.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -590.931817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.931817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.931817 (E_RNA) where: Base-Base interactions energy: -209.657 where: short stacking energy: -163.304 Base-Backbone interact. energy: 3.038 local terms energy: -384.312779 where: bonds (distance) C4'-P energy: -126.405 bonds (distance) P-C4' energy: -139.480 flat angles C4'-P-C4' energy: -96.296 flat angles P-C4'-P energy: -54.702 tors. eta vs tors. theta energy: 32.570 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: 3 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2675.607686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.607686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.607686 (E_RNA) where: Base-Base interactions energy: -1779.585 where: short stacking energy: -816.649 Base-Backbone interact. energy: -2.150 local terms energy: -893.872504 where: bonds (distance) C4'-P energy: -169.631 bonds (distance) P-C4' energy: -161.934 flat angles C4'-P-C4' energy: -189.465 flat angles P-C4'-P energy: -123.201 tors. eta vs tors. theta energy: -249.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2474.300988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.300988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.300988 (E_RNA) where: Base-Base interactions energy: -1671.033 where: short stacking energy: -725.972 Base-Backbone interact. energy: -4.107 local terms energy: -799.161589 where: bonds (distance) C4'-P energy: -154.632 bonds (distance) P-C4' energy: -156.143 flat angles C4'-P-C4' energy: -171.929 flat angles P-C4'-P energy: -113.107 tors. eta vs tors. theta energy: -203.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2210.693765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.693765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.693765 (E_RNA) where: Base-Base interactions energy: -1455.440 where: short stacking energy: -666.270 Base-Backbone interact. energy: -1.258 local terms energy: -753.995399 where: bonds (distance) C4'-P energy: -148.910 bonds (distance) P-C4' energy: -129.040 flat angles C4'-P-C4' energy: -185.549 flat angles P-C4'-P energy: -109.861 tors. eta vs tors. theta energy: -180.636 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: 118 Temperature: 1.050000 Total energy: -2051.832611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.832611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.832611 (E_RNA) where: Base-Base interactions energy: -1313.923 where: short stacking energy: -593.581 Base-Backbone interact. energy: -3.824 local terms energy: -734.086519 where: bonds (distance) C4'-P energy: -142.368 bonds (distance) P-C4' energy: -164.729 flat angles C4'-P-C4' energy: -168.508 flat angles P-C4'-P energy: -116.896 tors. eta vs tors. theta energy: -141.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1943.752527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.752527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.752527 (E_RNA) where: Base-Base interactions energy: -1251.689 where: short stacking energy: -590.924 Base-Backbone interact. energy: -0.738 local terms energy: -691.325339 where: bonds (distance) C4'-P energy: -140.744 bonds (distance) P-C4' energy: -131.957 flat angles C4'-P-C4' energy: -151.765 flat angles P-C4'-P energy: -108.851 tors. eta vs tors. theta energy: -158.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1780.487265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.487265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.487265 (E_RNA) where: Base-Base interactions energy: -1097.898 where: short stacking energy: -498.710 Base-Backbone interact. energy: -3.098 local terms energy: -679.491343 where: bonds (distance) C4'-P energy: -128.671 bonds (distance) P-C4' energy: -168.812 flat angles C4'-P-C4' energy: -169.984 flat angles P-C4'-P energy: -92.706 tors. eta vs tors. theta energy: -119.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1602.750848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.750848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.750848 (E_RNA) where: Base-Base interactions energy: -1002.431 where: short stacking energy: -427.059 Base-Backbone interact. energy: -4.612 local terms energy: -595.707486 where: bonds (distance) C4'-P energy: -127.437 bonds (distance) P-C4' energy: -153.129 flat angles C4'-P-C4' energy: -144.691 flat angles P-C4'-P energy: -93.551 tors. eta vs tors. theta energy: -76.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1192.973905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.973905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.973905 (E_RNA) where: Base-Base interactions energy: -680.226 where: short stacking energy: -379.514 Base-Backbone interact. energy: -3.864 local terms energy: -508.883629 where: bonds (distance) C4'-P energy: -118.789 bonds (distance) P-C4' energy: -140.183 flat angles C4'-P-C4' energy: -122.994 flat angles P-C4'-P energy: -85.449 tors. eta vs tors. theta energy: -41.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -844.030929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.030929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.030929 (E_RNA) where: Base-Base interactions energy: -407.217 where: short stacking energy: -248.006 Base-Backbone interact. energy: 2.682 local terms energy: -439.496529 where: bonds (distance) C4'-P energy: -128.227 bonds (distance) P-C4' energy: -146.435 flat angles C4'-P-C4' energy: -106.778 flat angles P-C4'-P energy: -85.988 tors. eta vs tors. theta energy: 27.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -669.549567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.549567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.549567 (E_RNA) where: Base-Base interactions energy: -250.065 where: short stacking energy: -191.352 Base-Backbone interact. energy: -0.769 local terms energy: -418.716127 where: bonds (distance) C4'-P energy: -125.628 bonds (distance) P-C4' energy: -157.547 flat angles C4'-P-C4' energy: -113.275 flat angles P-C4'-P energy: -64.485 tors. eta vs tors. theta energy: 42.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2651.183716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.183716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.183716 (E_RNA) where: Base-Base interactions energy: -1780.111 where: short stacking energy: -820.961 Base-Backbone interact. energy: -3.098 local terms energy: -867.974807 where: bonds (distance) C4'-P energy: -152.387 bonds (distance) P-C4' energy: -173.851 flat angles C4'-P-C4' energy: -178.129 flat angles P-C4'-P energy: -136.239 tors. eta vs tors. theta energy: -227.370 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: 119 Temperature: 0.950000 Total energy: -2508.801168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.801168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.801168 (E_RNA) where: Base-Base interactions energy: -1699.583 where: short stacking energy: -735.261 Base-Backbone interact. energy: -3.973 local terms energy: -805.245075 where: bonds (distance) C4'-P energy: -155.251 bonds (distance) P-C4' energy: -158.471 flat angles C4'-P-C4' energy: -172.471 flat angles P-C4'-P energy: -109.757 tors. eta vs tors. theta energy: -209.295 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: 3, replica: 9 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2158.589462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.589462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.589462 (E_RNA) where: Base-Base interactions energy: -1409.647 where: short stacking energy: -663.675 Base-Backbone interact. energy: -4.880 local terms energy: -744.061661 where: bonds (distance) C4'-P energy: -137.922 bonds (distance) P-C4' energy: -166.705 flat angles C4'-P-C4' energy: -158.995 flat angles P-C4'-P energy: -109.816 tors. eta vs tors. theta energy: -170.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2033.457496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.457496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.457496 (E_RNA) where: Base-Base interactions energy: -1346.605 where: short stacking energy: -590.560 Base-Backbone interact. energy: -1.241 local terms energy: -685.611275 where: bonds (distance) C4'-P energy: -149.386 bonds (distance) P-C4' energy: -138.637 flat angles C4'-P-C4' energy: -153.714 flat angles P-C4'-P energy: -97.026 tors. eta vs tors. theta energy: -146.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1952.161776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.161776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.161776 (E_RNA) where: Base-Base interactions energy: -1273.479 where: short stacking energy: -574.788 Base-Backbone interact. energy: -0.578 local terms energy: -678.105286 where: bonds (distance) C4'-P energy: -133.494 bonds (distance) P-C4' energy: -142.702 flat angles C4'-P-C4' energy: -148.150 flat angles P-C4'-P energy: -106.712 tors. eta vs tors. theta energy: -147.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1722.968551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.968551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.968551 (E_RNA) where: Base-Base interactions energy: -1095.954 where: short stacking energy: -513.879 Base-Backbone interact. energy: 5.922 local terms energy: -632.936710 where: bonds (distance) C4'-P energy: -140.805 bonds (distance) P-C4' energy: -143.439 flat angles C4'-P-C4' energy: -146.416 flat angles P-C4'-P energy: -102.481 tors. eta vs tors. theta energy: -99.796 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: 7, replica: 5 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1571.581967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.581967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.581967 (E_RNA) where: Base-Base interactions energy: -969.498 where: short stacking energy: -447.888 Base-Backbone interact. energy: 1.714 local terms energy: -603.798467 where: bonds (distance) C4'-P energy: -150.214 bonds (distance) P-C4' energy: -161.758 flat angles C4'-P-C4' energy: -128.103 flat angles P-C4'-P energy: -94.643 tors. eta vs tors. theta energy: -69.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1269.912918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.912918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.912918 (E_RNA) where: Base-Base interactions energy: -729.533 where: short stacking energy: -352.426 Base-Backbone interact. energy: -4.121 local terms energy: -536.258324 where: bonds (distance) C4'-P energy: -120.069 bonds (distance) P-C4' energy: -154.857 flat angles C4'-P-C4' energy: -143.929 flat angles P-C4'-P energy: -66.797 tors. eta vs tors. theta energy: -50.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -871.665758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.665758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.665758 (E_RNA) where: Base-Base interactions energy: -437.501 where: short stacking energy: -286.278 Base-Backbone interact. energy: -0.151 local terms energy: -434.013556 where: bonds (distance) C4'-P energy: -131.530 bonds (distance) P-C4' energy: -117.615 flat angles C4'-P-C4' energy: -109.150 flat angles P-C4'-P energy: -73.493 tors. eta vs tors. theta energy: -2.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -631.064359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.064359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.064359 (E_RNA) where: Base-Base interactions energy: -234.008 where: short stacking energy: -163.458 Base-Backbone interact. energy: 2.730 local terms energy: -399.786566 where: bonds (distance) C4'-P energy: -125.210 bonds (distance) P-C4' energy: -133.562 flat angles C4'-P-C4' energy: -103.565 flat angles P-C4'-P energy: -63.149 tors. eta vs tors. theta energy: 25.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2680.818407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.818407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.818407 (E_RNA) where: Base-Base interactions energy: -1824.336 where: short stacking energy: -789.835 Base-Backbone interact. energy: -2.419 local terms energy: -854.062941 where: bonds (distance) C4'-P energy: -145.215 bonds (distance) P-C4' energy: -176.193 flat angles C4'-P-C4' energy: -198.108 flat angles P-C4'-P energy: -111.939 tors. eta vs tors. theta energy: -222.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2462.257062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.257062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.257062 (E_RNA) where: Base-Base interactions energy: -1709.785 where: short stacking energy: -721.027 Base-Backbone interact. energy: -4.012 local terms energy: -748.460936 where: bonds (distance) C4'-P energy: -143.648 bonds (distance) P-C4' energy: -139.518 flat angles C4'-P-C4' energy: -176.817 flat angles P-C4'-P energy: -107.867 tors. eta vs tors. theta energy: -180.611 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: 9 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2238.405401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.405401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.405401 (E_RNA) where: Base-Base interactions energy: -1520.383 where: short stacking energy: -661.982 Base-Backbone interact. energy: -1.199 local terms energy: -716.823128 where: bonds (distance) C4'-P energy: -139.847 bonds (distance) P-C4' energy: -175.661 flat angles C4'-P-C4' energy: -155.686 flat angles P-C4'-P energy: -86.202 tors. eta vs tors. theta energy: -159.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2079.061113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.061113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.061113 (E_RNA) where: Base-Base interactions energy: -1378.297 where: short stacking energy: -613.125 Base-Backbone interact. energy: -0.704 local terms energy: -700.060843 where: bonds (distance) C4'-P energy: -137.942 bonds (distance) P-C4' energy: -132.524 flat angles C4'-P-C4' energy: -172.247 flat angles P-C4'-P energy: -91.162 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: 5, replica: 1 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2042.089103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.089103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.089103 (E_RNA) where: Base-Base interactions energy: -1370.127 where: short stacking energy: -629.116 Base-Backbone interact. energy: -3.843 local terms energy: -668.119114 where: bonds (distance) C4'-P energy: -139.256 bonds (distance) P-C4' energy: -132.148 flat angles C4'-P-C4' energy: -143.654 flat angles P-C4'-P energy: -86.347 tors. eta vs tors. theta energy: -166.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1693.128008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.128008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.128008 (E_RNA) where: Base-Base interactions energy: -1073.395 where: short stacking energy: -495.623 Base-Backbone interact. energy: -0.830 local terms energy: -618.902835 where: bonds (distance) C4'-P energy: -131.280 bonds (distance) P-C4' energy: -136.810 flat angles C4'-P-C4' energy: -155.452 flat angles P-C4'-P energy: -100.359 tors. eta vs tors. theta energy: -95.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1602.461881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.461881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.461881 (E_RNA) where: Base-Base interactions energy: -1000.885 where: short stacking energy: -467.771 Base-Backbone interact. energy: 5.570 local terms energy: -607.147408 where: bonds (distance) C4'-P energy: -127.286 bonds (distance) P-C4' energy: -142.148 flat angles C4'-P-C4' energy: -142.038 flat angles P-C4'-P energy: -94.402 tors. eta vs tors. theta energy: -101.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1257.673675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.673675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.673675 (E_RNA) where: Base-Base interactions energy: -702.210 where: short stacking energy: -389.948 Base-Backbone interact. energy: 0.457 local terms energy: -555.920544 where: bonds (distance) C4'-P energy: -127.989 bonds (distance) P-C4' energy: -136.967 flat angles C4'-P-C4' energy: -128.750 flat angles P-C4'-P energy: -82.976 tors. eta vs tors. theta energy: -79.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -785.841344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.841344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.841344 (E_RNA) where: Base-Base interactions energy: -358.888 where: short stacking energy: -209.653 Base-Backbone interact. energy: 1.402 local terms energy: -428.355029 where: bonds (distance) C4'-P energy: -125.905 bonds (distance) P-C4' energy: -135.278 flat angles C4'-P-C4' energy: -105.645 flat angles P-C4'-P energy: -78.558 tors. eta vs tors. theta energy: 17.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -614.694878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.694878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.694878 (E_RNA) where: Base-Base interactions energy: -226.816 where: short stacking energy: -177.232 Base-Backbone interact. energy: -2.126 local terms energy: -385.753178 where: bonds (distance) C4'-P energy: -129.716 bonds (distance) P-C4' energy: -133.501 flat angles C4'-P-C4' energy: -71.519 flat angles P-C4'-P energy: -69.237 tors. eta vs tors. theta energy: 18.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2657.013702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.013702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.013702 (E_RNA) where: Base-Base interactions energy: -1779.137 where: short stacking energy: -805.437 Base-Backbone interact. energy: -4.639 local terms energy: -873.237520 where: bonds (distance) C4'-P energy: -166.117 bonds (distance) P-C4' energy: -160.168 flat angles C4'-P-C4' energy: -185.594 flat angles P-C4'-P energy: -128.309 tors. eta vs tors. theta energy: -233.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2457.077583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.077583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.077583 (E_RNA) where: Base-Base interactions energy: -1646.773 where: short stacking energy: -703.280 Base-Backbone interact. energy: 0.219 local terms energy: -810.522887 where: bonds (distance) C4'-P energy: -149.911 bonds (distance) P-C4' energy: -169.901 flat angles C4'-P-C4' energy: -171.821 flat angles P-C4'-P energy: -119.511 tors. eta vs tors. theta energy: -199.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2289.734233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.734233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.734233 (E_RNA) where: Base-Base interactions energy: -1538.145 where: short stacking energy: -693.550 Base-Backbone interact. energy: -1.297 local terms energy: -750.292634 where: bonds (distance) C4'-P energy: -151.539 bonds (distance) P-C4' energy: -153.718 flat angles C4'-P-C4' energy: -161.230 flat angles P-C4'-P energy: -101.281 tors. eta vs tors. theta energy: -182.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2079.379876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.379876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.379876 (E_RNA) where: Base-Base interactions energy: -1375.920 where: short stacking energy: -640.736 Base-Backbone interact. energy: -3.781 local terms energy: -699.678924 where: bonds (distance) C4'-P energy: -129.700 bonds (distance) P-C4' energy: -153.524 flat angles C4'-P-C4' energy: -168.143 flat angles P-C4'-P energy: -94.117 tors. eta vs tors. theta energy: -154.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1925.617006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.617006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.617006 (E_RNA) where: Base-Base interactions energy: -1277.337 where: short stacking energy: -563.578 Base-Backbone interact. energy: -3.876 local terms energy: -644.404620 where: bonds (distance) C4'-P energy: -129.149 bonds (distance) P-C4' energy: -125.328 flat angles C4'-P-C4' energy: -147.276 flat angles P-C4'-P energy: -106.847 tors. eta vs tors. theta energy: -135.806 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: 6, replica: 10 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1624.617951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.617951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.617951 (E_RNA) where: Base-Base interactions energy: -983.855 where: short stacking energy: -447.823 Base-Backbone interact. energy: -2.045 local terms energy: -638.718145 where: bonds (distance) C4'-P energy: -154.078 bonds (distance) P-C4' energy: -160.497 flat angles C4'-P-C4' energy: -142.548 flat angles P-C4'-P energy: -105.222 tors. eta vs tors. theta energy: -76.373 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: 5 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1586.548529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.548529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.548529 (E_RNA) where: Base-Base interactions energy: -1002.707 where: short stacking energy: -479.147 Base-Backbone interact. energy: -2.632 local terms energy: -581.208957 where: bonds (distance) C4'-P energy: -112.229 bonds (distance) P-C4' energy: -138.616 flat angles C4'-P-C4' energy: -134.395 flat angles P-C4'-P energy: -100.832 tors. eta vs tors. theta energy: -95.136 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: 4 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1232.352649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.352649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.352649 (E_RNA) where: Base-Base interactions energy: -695.371 where: short stacking energy: -355.951 Base-Backbone interact. energy: -1.560 local terms energy: -535.421359 where: bonds (distance) C4'-P energy: -131.360 bonds (distance) P-C4' energy: -136.665 flat angles C4'-P-C4' energy: -127.071 flat angles P-C4'-P energy: -82.192 tors. eta vs tors. theta energy: -58.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -811.283716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.283716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.283716 (E_RNA) where: Base-Base interactions energy: -347.091 where: short stacking energy: -223.873 Base-Backbone interact. energy: 3.293 local terms energy: -467.486054 where: bonds (distance) C4'-P energy: -148.037 bonds (distance) P-C4' energy: -140.976 flat angles C4'-P-C4' energy: -123.659 flat angles P-C4'-P energy: -56.968 tors. eta vs tors. theta energy: 2.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -646.465328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.465328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.465328 (E_RNA) where: Base-Base interactions energy: -221.741 where: short stacking energy: -153.130 Base-Backbone interact. energy: -3.375 local terms energy: -421.349018 where: bonds (distance) C4'-P energy: -126.111 bonds (distance) P-C4' energy: -131.389 flat angles C4'-P-C4' energy: -104.399 flat angles P-C4'-P energy: -80.567 tors. eta vs tors. theta energy: 21.116 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: 3 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2661.116912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.116912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.116912 (E_RNA) where: Base-Base interactions energy: -1813.201 where: short stacking energy: -771.196 Base-Backbone interact. energy: -3.023 local terms energy: -844.892842 where: bonds (distance) C4'-P energy: -158.544 bonds (distance) P-C4' energy: -164.313 flat angles C4'-P-C4' energy: -180.429 flat angles P-C4'-P energy: -119.840 tors. eta vs tors. theta energy: -221.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2478.073725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.073725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.073725 (E_RNA) where: Base-Base interactions energy: -1659.584 where: short stacking energy: -743.444 Base-Backbone interact. energy: -5.846 local terms energy: -812.643488 where: bonds (distance) C4'-P energy: -162.095 bonds (distance) P-C4' energy: -170.564 flat angles C4'-P-C4' energy: -174.661 flat angles P-C4'-P energy: -100.993 tors. eta vs tors. theta energy: -204.330 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: 9 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2245.198727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.198727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.198727 (E_RNA) where: Base-Base interactions energy: -1498.199 where: short stacking energy: -657.560 Base-Backbone interact. energy: 1.179 local terms energy: -748.179345 where: bonds (distance) C4'-P energy: -139.390 bonds (distance) P-C4' energy: -166.114 flat angles C4'-P-C4' energy: -173.504 flat angles P-C4'-P energy: -110.408 tors. eta vs tors. theta energy: -158.763 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: 1 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2166.260029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.260029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.260029 (E_RNA) where: Base-Base interactions energy: -1392.343 where: short stacking energy: -625.366 Base-Backbone interact. energy: -4.712 local terms energy: -769.204580 where: bonds (distance) C4'-P energy: -159.512 bonds (distance) P-C4' energy: -151.680 flat angles C4'-P-C4' energy: -177.735 flat angles P-C4'-P energy: -113.098 tors. eta vs tors. theta energy: -167.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1932.007248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.007248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.007248 (E_RNA) where: Base-Base interactions energy: -1258.892 where: short stacking energy: -581.808 Base-Backbone interact. energy: -1.007 local terms energy: -672.108058 where: bonds (distance) C4'-P energy: -137.356 bonds (distance) P-C4' energy: -145.105 flat angles C4'-P-C4' energy: -163.942 flat angles P-C4'-P energy: -99.407 tors. eta vs tors. theta energy: -126.298 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: 10 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1631.161156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.161156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.161156 (E_RNA) where: Base-Base interactions energy: -992.875 where: short stacking energy: -485.698 Base-Backbone interact. energy: -1.198 local terms energy: -637.087757 where: bonds (distance) C4'-P energy: -137.458 bonds (distance) P-C4' energy: -137.891 flat angles C4'-P-C4' energy: -156.778 flat angles P-C4'-P energy: -96.176 tors. eta vs tors. theta energy: -108.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1582.693791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.693791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.693791 (E_RNA) where: Base-Base interactions energy: -986.785 where: short stacking energy: -459.856 Base-Backbone interact. energy: 0.380 local terms energy: -596.288718 where: bonds (distance) C4'-P energy: -145.017 bonds (distance) P-C4' energy: -145.275 flat angles C4'-P-C4' energy: -146.926 flat angles P-C4'-P energy: -92.046 tors. eta vs tors. theta energy: -67.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1314.889220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.889220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.889220 (E_RNA) where: Base-Base interactions energy: -790.319 where: short stacking energy: -382.953 Base-Backbone interact. energy: 0.934 local terms energy: -525.504471 where: bonds (distance) C4'-P energy: -125.817 bonds (distance) P-C4' energy: -125.296 flat angles C4'-P-C4' energy: -149.483 flat angles P-C4'-P energy: -66.384 tors. eta vs tors. theta energy: -58.526 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: 8 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -784.472425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.472425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.472425 (E_RNA) where: Base-Base interactions energy: -358.827 where: short stacking energy: -244.054 Base-Backbone interact. energy: 12.191 local terms energy: -437.836607 where: bonds (distance) C4'-P energy: -125.903 bonds (distance) P-C4' energy: -138.639 flat angles C4'-P-C4' energy: -138.497 flat angles P-C4'-P energy: -61.654 tors. eta vs tors. theta energy: 26.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -634.396670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.396670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.396670 (E_RNA) where: Base-Base interactions energy: -241.318 where: short stacking energy: -205.854 Base-Backbone interact. energy: 2.408 local terms energy: -395.486914 where: bonds (distance) C4'-P energy: -129.655 bonds (distance) P-C4' energy: -120.700 flat angles C4'-P-C4' energy: -125.988 flat angles P-C4'-P energy: -49.899 tors. eta vs tors. theta energy: 30.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2612.792990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.792990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.792990 (E_RNA) where: Base-Base interactions energy: -1752.697 where: short stacking energy: -783.727 Base-Backbone interact. energy: -3.349 local terms energy: -856.746908 where: bonds (distance) C4'-P energy: -168.642 bonds (distance) P-C4' energy: -154.554 flat angles C4'-P-C4' energy: -189.428 flat angles P-C4'-P energy: -118.370 tors. eta vs tors. theta energy: -225.754 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: 6 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2527.028243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.028243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.028243 (E_RNA) where: Base-Base interactions energy: -1715.868 where: short stacking energy: -747.036 Base-Backbone interact. energy: 0.455 local terms energy: -811.614487 where: bonds (distance) C4'-P energy: -156.357 bonds (distance) P-C4' energy: -156.401 flat angles C4'-P-C4' energy: -180.596 flat angles P-C4'-P energy: -108.455 tors. eta vs tors. theta energy: -209.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2299.384688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.384688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.384688 (E_RNA) where: Base-Base interactions energy: -1514.673 where: short stacking energy: -683.153 Base-Backbone interact. energy: -2.018 local terms energy: -782.693363 where: bonds (distance) C4'-P energy: -161.675 bonds (distance) P-C4' energy: -151.167 flat angles C4'-P-C4' energy: -188.512 flat angles P-C4'-P energy: -108.083 tors. eta vs tors. theta energy: -173.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2122.337195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.337195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.337195 (E_RNA) where: Base-Base interactions energy: -1391.959 where: short stacking energy: -638.147 Base-Backbone interact. energy: -4.444 local terms energy: -725.934412 where: bonds (distance) C4'-P energy: -133.941 bonds (distance) P-C4' energy: -151.349 flat angles C4'-P-C4' energy: -182.101 flat angles P-C4'-P energy: -88.240 tors. eta vs tors. theta energy: -170.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1914.754454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.754454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.754454 (E_RNA) where: Base-Base interactions energy: -1229.441 where: short stacking energy: -566.898 Base-Backbone interact. energy: -3.879 local terms energy: -681.433679 where: bonds (distance) C4'-P energy: -147.088 bonds (distance) P-C4' energy: -137.784 flat angles C4'-P-C4' energy: -160.126 flat angles P-C4'-P energy: -101.006 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: 6, replica: 10 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1597.261079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.261079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.261079 (E_RNA) where: Base-Base interactions energy: -1007.269 where: short stacking energy: -457.533 Base-Backbone interact. energy: -3.800 local terms energy: -586.192726 where: bonds (distance) C4'-P energy: -127.092 bonds (distance) P-C4' energy: -141.016 flat angles C4'-P-C4' energy: -138.898 flat angles P-C4'-P energy: -91.346 tors. eta vs tors. theta energy: -87.840 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: 123 Temperature: 1.200000 Total energy: -1611.932803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.932803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.932803 (E_RNA) where: Base-Base interactions energy: -1006.327 where: short stacking energy: -471.022 Base-Backbone interact. energy: -1.666 local terms energy: -603.940255 where: bonds (distance) C4'-P energy: -130.770 bonds (distance) P-C4' energy: -161.668 flat angles C4'-P-C4' energy: -137.480 flat angles P-C4'-P energy: -90.631 tors. eta vs tors. theta energy: -83.390 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: 4 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1185.913494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.913494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.913494 (E_RNA) where: Base-Base interactions energy: -645.313 where: short stacking energy: -347.653 Base-Backbone interact. energy: -0.239 local terms energy: -540.361248 where: bonds (distance) C4'-P energy: -144.003 bonds (distance) P-C4' energy: -153.162 flat angles C4'-P-C4' energy: -129.835 flat angles P-C4'-P energy: -80.610 tors. eta vs tors. theta energy: -32.752 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: 8 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -825.189411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.189411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.189411 (E_RNA) where: Base-Base interactions energy: -399.839 where: short stacking energy: -251.521 Base-Backbone interact. energy: -5.810 local terms energy: -419.540130 where: bonds (distance) C4'-P energy: -127.089 bonds (distance) P-C4' energy: -142.278 flat angles C4'-P-C4' energy: -94.662 flat angles P-C4'-P energy: -64.630 tors. eta vs tors. theta energy: 9.119 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: 7 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -594.333238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.333238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.333238 (E_RNA) where: Base-Base interactions energy: -211.506 where: short stacking energy: -176.554 Base-Backbone interact. energy: 7.975 local terms energy: -390.801660 where: bonds (distance) C4'-P energy: -136.969 bonds (distance) P-C4' energy: -135.123 flat angles C4'-P-C4' energy: -129.358 flat angles P-C4'-P energy: -38.293 tors. eta vs tors. theta energy: 48.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2610.001301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.001301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.001301 (E_RNA) where: Base-Base interactions energy: -1726.953 where: short stacking energy: -771.446 Base-Backbone interact. energy: 0.755 local terms energy: -883.803844 where: bonds (distance) C4'-P energy: -167.479 bonds (distance) P-C4' energy: -177.212 flat angles C4'-P-C4' energy: -175.255 flat angles P-C4'-P energy: -134.453 tors. eta vs tors. theta energy: -229.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2510.707829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.707829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.707829 (E_RNA) where: Base-Base interactions energy: -1713.701 where: short stacking energy: -741.495 Base-Backbone interact. energy: 0.618 local terms energy: -797.625482 where: bonds (distance) C4'-P energy: -147.786 bonds (distance) P-C4' energy: -158.713 flat angles C4'-P-C4' energy: -185.973 flat angles P-C4'-P energy: -101.822 tors. eta vs tors. theta energy: -203.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2288.904650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.904650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.904650 (E_RNA) where: Base-Base interactions energy: -1539.486 where: short stacking energy: -665.101 Base-Backbone interact. energy: -4.140 local terms energy: -745.278947 where: bonds (distance) C4'-P energy: -145.019 bonds (distance) P-C4' energy: -155.382 flat angles C4'-P-C4' energy: -163.391 flat angles P-C4'-P energy: -113.116 tors. eta vs tors. theta energy: -168.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2138.968861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.968861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.968861 (E_RNA) where: Base-Base interactions energy: -1429.193 where: short stacking energy: -677.013 Base-Backbone interact. energy: -1.954 local terms energy: -707.821028 where: bonds (distance) C4'-P energy: -125.007 bonds (distance) P-C4' energy: -145.563 flat angles C4'-P-C4' energy: -168.721 flat angles P-C4'-P energy: -94.989 tors. eta vs tors. theta energy: -173.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1881.302400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.302400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.302400 (E_RNA) where: Base-Base interactions energy: -1214.748 where: short stacking energy: -545.191 Base-Backbone interact. energy: -2.930 local terms energy: -663.624393 where: bonds (distance) C4'-P energy: -131.830 bonds (distance) P-C4' energy: -137.181 flat angles C4'-P-C4' energy: -167.735 flat angles P-C4'-P energy: -85.803 tors. eta vs tors. theta energy: -141.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1649.414788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.414788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.414788 (E_RNA) where: Base-Base interactions energy: -1040.801 where: short stacking energy: -495.180 Base-Backbone interact. energy: 0.700 local terms energy: -609.314052 where: bonds (distance) C4'-P energy: -136.994 bonds (distance) P-C4' energy: -150.244 flat angles C4'-P-C4' energy: -138.930 flat angles P-C4'-P energy: -81.712 tors. eta vs tors. theta energy: -101.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1625.875053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.875053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.875053 (E_RNA) where: Base-Base interactions energy: -1034.637 where: short stacking energy: -469.715 Base-Backbone interact. energy: -2.138 local terms energy: -589.100594 where: bonds (distance) C4'-P energy: -127.830 bonds (distance) P-C4' energy: -138.676 flat angles C4'-P-C4' energy: -147.208 flat angles P-C4'-P energy: -70.708 tors. eta vs tors. theta energy: -104.678 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: 4 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1219.907102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.907102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.907102 (E_RNA) where: Base-Base interactions energy: -705.489 where: short stacking energy: -341.307 Base-Backbone interact. energy: -2.250 local terms energy: -512.168729 where: bonds (distance) C4'-P energy: -132.522 bonds (distance) P-C4' energy: -148.918 flat angles C4'-P-C4' energy: -120.381 flat angles P-C4'-P energy: -85.181 tors. eta vs tors. theta energy: -25.167 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: 8 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -825.132552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.132552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.132552 (E_RNA) where: Base-Base interactions energy: -382.886 where: short stacking energy: -269.674 Base-Backbone interact. energy: 5.023 local terms energy: -447.269668 where: bonds (distance) C4'-P energy: -113.007 bonds (distance) P-C4' energy: -140.770 flat angles C4'-P-C4' energy: -107.948 flat angles P-C4'-P energy: -79.137 tors. eta vs tors. theta energy: -6.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -619.833015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.833015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.833015 (E_RNA) where: Base-Base interactions energy: -210.900 where: short stacking energy: -186.910 Base-Backbone interact. energy: -1.118 local terms energy: -407.815150 where: bonds (distance) C4'-P energy: -143.932 bonds (distance) P-C4' energy: -146.693 flat angles C4'-P-C4' energy: -103.079 flat angles P-C4'-P energy: -57.635 tors. eta vs tors. theta energy: 43.524 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: 1, replica: 3 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2597.286704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.286704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.286704 (E_RNA) where: Base-Base interactions energy: -1738.983 where: short stacking energy: -789.976 Base-Backbone interact. energy: -2.420 local terms energy: -855.883344 where: bonds (distance) C4'-P energy: -170.355 bonds (distance) P-C4' energy: -166.950 flat angles C4'-P-C4' energy: -174.733 flat angles P-C4'-P energy: -123.717 tors. eta vs tors. theta energy: -220.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2497.711610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.711610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.711610 (E_RNA) where: Base-Base interactions energy: -1682.657 where: short stacking energy: -739.009 Base-Backbone interact. energy: -0.130 local terms energy: -814.924384 where: bonds (distance) C4'-P energy: -162.750 bonds (distance) P-C4' energy: -164.616 flat angles C4'-P-C4' energy: -175.962 flat angles P-C4'-P energy: -111.827 tors. eta vs tors. theta energy: -199.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2279.851146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.851146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.851146 (E_RNA) where: Base-Base interactions energy: -1515.460 where: short stacking energy: -662.252 Base-Backbone interact. energy: -1.059 local terms energy: -763.331596 where: bonds (distance) C4'-P energy: -156.683 bonds (distance) P-C4' energy: -172.514 flat angles C4'-P-C4' energy: -173.771 flat angles P-C4'-P energy: -99.600 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: 4, replica: 1 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2199.650810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.650810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.650810 (E_RNA) where: Base-Base interactions energy: -1436.929 where: short stacking energy: -624.503 Base-Backbone interact. energy: -3.184 local terms energy: -759.537605 where: bonds (distance) C4'-P energy: -161.089 bonds (distance) P-C4' energy: -162.685 flat angles C4'-P-C4' energy: -158.789 flat angles P-C4'-P energy: -114.731 tors. eta vs tors. theta energy: -162.245 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: 2 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1831.302124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.302124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.302124 (E_RNA) where: Base-Base interactions energy: -1169.694 where: short stacking energy: -561.489 Base-Backbone interact. energy: 1.959 local terms energy: -663.566953 where: bonds (distance) C4'-P energy: -131.638 bonds (distance) P-C4' energy: -145.646 flat angles C4'-P-C4' energy: -147.203 flat angles P-C4'-P energy: -106.786 tors. eta vs tors. theta energy: -132.293 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: 5 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1755.991321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.991321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.991321 (E_RNA) where: Base-Base interactions energy: -1121.042 where: short stacking energy: -493.270 Base-Backbone interact. energy: -2.632 local terms energy: -632.317672 where: bonds (distance) C4'-P energy: -144.980 bonds (distance) P-C4' energy: -150.926 flat angles C4'-P-C4' energy: -149.497 flat angles P-C4'-P energy: -88.766 tors. eta vs tors. theta energy: -98.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1557.454013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.454013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.454013 (E_RNA) where: Base-Base interactions energy: -978.826 where: short stacking energy: -448.626 Base-Backbone interact. energy: -1.664 local terms energy: -576.964560 where: bonds (distance) C4'-P energy: -116.710 bonds (distance) P-C4' energy: -149.923 flat angles C4'-P-C4' energy: -139.532 flat angles P-C4'-P energy: -97.672 tors. eta vs tors. theta energy: -73.129 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: 4 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1236.839116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.839116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.839116 (E_RNA) where: Base-Base interactions energy: -694.143 where: short stacking energy: -383.576 Base-Backbone interact. energy: 0.512 local terms energy: -543.208041 where: bonds (distance) C4'-P energy: -144.157 bonds (distance) P-C4' energy: -133.487 flat angles C4'-P-C4' energy: -129.127 flat angles P-C4'-P energy: -67.957 tors. eta vs tors. theta energy: -68.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -800.370680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.370680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.370680 (E_RNA) where: Base-Base interactions energy: -381.792 where: short stacking energy: -253.718 Base-Backbone interact. energy: 2.143 local terms energy: -420.721849 where: bonds (distance) C4'-P energy: -121.520 bonds (distance) P-C4' energy: -126.546 flat angles C4'-P-C4' energy: -106.788 flat angles P-C4'-P energy: -65.737 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: 7 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -611.284305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.284305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.284305 (E_RNA) where: Base-Base interactions energy: -188.394 where: short stacking energy: -178.292 Base-Backbone interact. energy: -1.729 local terms energy: -421.161175 where: bonds (distance) C4'-P energy: -127.741 bonds (distance) P-C4' energy: -148.198 flat angles C4'-P-C4' energy: -109.006 flat angles P-C4'-P energy: -60.068 tors. eta vs tors. theta energy: 23.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2654.891606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.891606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.891606 (E_RNA) where: Base-Base interactions energy: -1801.175 where: short stacking energy: -791.926 Base-Backbone interact. energy: -2.780 local terms energy: -850.936480 where: bonds (distance) C4'-P energy: -151.318 bonds (distance) P-C4' energy: -157.015 flat angles C4'-P-C4' energy: -179.365 flat angles P-C4'-P energy: -137.392 tors. eta vs tors. theta energy: -225.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2511.027489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.027489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.027489 (E_RNA) where: Base-Base interactions energy: -1686.978 where: short stacking energy: -719.218 Base-Backbone interact. energy: -2.771 local terms energy: -821.278495 where: bonds (distance) C4'-P energy: -156.073 bonds (distance) P-C4' energy: -167.120 flat angles C4'-P-C4' energy: -170.321 flat angles P-C4'-P energy: -125.514 tors. eta vs tors. theta energy: -202.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2301.515679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.515679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.515679 (E_RNA) where: Base-Base interactions energy: -1497.223 where: short stacking energy: -741.420 Base-Backbone interact. energy: -0.503 local terms energy: -803.789482 where: bonds (distance) C4'-P energy: -150.577 bonds (distance) P-C4' energy: -166.161 flat angles C4'-P-C4' energy: -178.432 flat angles P-C4'-P energy: -120.069 tors. eta vs tors. theta energy: -188.551 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: 9 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2206.690022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.690022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.690022 (E_RNA) where: Base-Base interactions energy: -1480.400 where: short stacking energy: -655.394 Base-Backbone interact. energy: -5.978 local terms energy: -720.312509 where: bonds (distance) C4'-P energy: -141.696 bonds (distance) P-C4' energy: -149.472 flat angles C4'-P-C4' energy: -167.677 flat angles P-C4'-P energy: -97.589 tors. eta vs tors. theta energy: -163.879 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: 5, replica: 2 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1894.457214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.457214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.457214 (E_RNA) where: Base-Base interactions energy: -1249.988 where: short stacking energy: -584.808 Base-Backbone interact. energy: -2.887 local terms energy: -641.582096 where: bonds (distance) C4'-P energy: -136.294 bonds (distance) P-C4' energy: -146.924 flat angles C4'-P-C4' energy: -138.886 flat angles P-C4'-P energy: -79.653 tors. eta vs tors. theta energy: -139.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1835.768093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.768093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.768093 (E_RNA) where: Base-Base interactions energy: -1196.200 where: short stacking energy: -534.782 Base-Backbone interact. energy: -2.440 local terms energy: -637.127671 where: bonds (distance) C4'-P energy: -130.836 bonds (distance) P-C4' energy: -148.913 flat angles C4'-P-C4' energy: -143.401 flat angles P-C4'-P energy: -95.105 tors. eta vs tors. theta energy: -118.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1572.081643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.081643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.081643 (E_RNA) where: Base-Base interactions energy: -1013.106 where: short stacking energy: -492.554 Base-Backbone interact. energy: -2.088 local terms energy: -556.887157 where: bonds (distance) C4'-P energy: -130.083 bonds (distance) P-C4' energy: -128.072 flat angles C4'-P-C4' energy: -134.664 flat angles P-C4'-P energy: -82.091 tors. eta vs tors. theta energy: -81.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1169.877571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.877571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.877571 (E_RNA) where: Base-Base interactions energy: -644.222 where: short stacking energy: -359.774 Base-Backbone interact. energy: -4.164 local terms energy: -521.491994 where: bonds (distance) C4'-P energy: -147.612 bonds (distance) P-C4' energy: -130.726 flat angles C4'-P-C4' energy: -130.812 flat angles P-C4'-P energy: -71.162 tors. eta vs tors. theta energy: -41.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -798.802260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.802260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.802260 (E_RNA) where: Base-Base interactions energy: -384.883 where: short stacking energy: -214.479 Base-Backbone interact. energy: -1.596 local terms energy: -412.323486 where: bonds (distance) C4'-P energy: -124.160 bonds (distance) P-C4' energy: -129.255 flat angles C4'-P-C4' energy: -113.466 flat angles P-C4'-P energy: -64.529 tors. eta vs tors. theta energy: 19.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -644.159969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.159969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.159969 (E_RNA) where: Base-Base interactions energy: -244.537 where: short stacking energy: -180.100 Base-Backbone interact. energy: -1.659 local terms energy: -397.964407 where: bonds (distance) C4'-P energy: -132.036 bonds (distance) P-C4' energy: -127.653 flat angles C4'-P-C4' energy: -92.051 flat angles P-C4'-P energy: -75.961 tors. eta vs tors. theta energy: 29.736 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: 3 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2662.849676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.849676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.849676 (E_RNA) where: Base-Base interactions energy: -1784.007 where: short stacking energy: -770.067 Base-Backbone interact. energy: -1.008 local terms energy: -877.834500 where: bonds (distance) C4'-P energy: -164.921 bonds (distance) P-C4' energy: -165.819 flat angles C4'-P-C4' energy: -188.271 flat angles P-C4'-P energy: -126.983 tors. eta vs tors. theta energy: -231.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2463.691591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.691591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.691591 (E_RNA) where: Base-Base interactions energy: -1676.346 where: short stacking energy: -738.695 Base-Backbone interact. energy: -5.257 local terms energy: -782.088752 where: bonds (distance) C4'-P energy: -142.458 bonds (distance) P-C4' energy: -145.335 flat angles C4'-P-C4' energy: -179.474 flat angles P-C4'-P energy: -117.136 tors. eta vs tors. theta energy: -197.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2261.264769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.264769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.264769 (E_RNA) where: Base-Base interactions energy: -1512.115 where: short stacking energy: -693.972 Base-Backbone interact. energy: -0.064 local terms energy: -749.086464 where: bonds (distance) C4'-P energy: -150.711 bonds (distance) P-C4' energy: -157.895 flat angles C4'-P-C4' energy: -173.232 flat angles P-C4'-P energy: -89.736 tors. eta vs tors. theta energy: -177.512 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: 9 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2152.114355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.114355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.114355 (E_RNA) where: Base-Base interactions energy: -1421.148 where: short stacking energy: -637.488 Base-Backbone interact. energy: -4.853 local terms energy: -726.112437 where: bonds (distance) C4'-P energy: -141.971 bonds (distance) P-C4' energy: -147.159 flat angles C4'-P-C4' energy: -172.812 flat angles P-C4'-P energy: -113.654 tors. eta vs tors. theta energy: -150.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1925.299358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.299358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.299358 (E_RNA) where: Base-Base interactions energy: -1218.476 where: short stacking energy: -557.190 Base-Backbone interact. energy: -4.519 local terms energy: -702.304794 where: bonds (distance) C4'-P energy: -148.407 bonds (distance) P-C4' energy: -161.471 flat angles C4'-P-C4' energy: -163.686 flat angles P-C4'-P energy: -87.658 tors. eta vs tors. theta energy: -141.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1798.787545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.787545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.787545 (E_RNA) where: Base-Base interactions energy: -1157.305 where: short stacking energy: -540.902 Base-Backbone interact. energy: -0.112 local terms energy: -641.370414 where: bonds (distance) C4'-P energy: -137.852 bonds (distance) P-C4' energy: -158.447 flat angles C4'-P-C4' energy: -150.836 flat angles P-C4'-P energy: -89.915 tors. eta vs tors. theta energy: -104.320 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: 10 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1550.747742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.747742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.747742 (E_RNA) where: Base-Base interactions energy: -953.830 where: short stacking energy: -462.403 Base-Backbone interact. energy: -0.966 local terms energy: -595.951471 where: bonds (distance) C4'-P energy: -139.304 bonds (distance) P-C4' energy: -133.491 flat angles C4'-P-C4' energy: -151.228 flat angles P-C4'-P energy: -84.388 tors. eta vs tors. theta energy: -87.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1136.781766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.781766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.781766 (E_RNA) where: Base-Base interactions energy: -639.353 where: short stacking energy: -322.012 Base-Backbone interact. energy: 2.035 local terms energy: -499.464131 where: bonds (distance) C4'-P energy: -119.193 bonds (distance) P-C4' energy: -154.783 flat angles C4'-P-C4' energy: -107.153 flat angles P-C4'-P energy: -69.667 tors. eta vs tors. theta energy: -48.668 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: 8 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -812.616813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.616813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.616813 (E_RNA) where: Base-Base interactions energy: -364.863 where: short stacking energy: -230.343 Base-Backbone interact. energy: -2.199 local terms energy: -445.554922 where: bonds (distance) C4'-P energy: -134.045 bonds (distance) P-C4' energy: -141.709 flat angles C4'-P-C4' energy: -113.412 flat angles P-C4'-P energy: -67.701 tors. eta vs tors. theta energy: 11.312 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: 7 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -595.402795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.402795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.402795 (E_RNA) where: Base-Base interactions energy: -216.265 where: short stacking energy: -176.178 Base-Backbone interact. energy: 1.285 local terms energy: -380.422866 where: bonds (distance) C4'-P energy: -137.060 bonds (distance) P-C4' energy: -116.863 flat angles C4'-P-C4' energy: -82.663 flat angles P-C4'-P energy: -61.425 tors. eta vs tors. theta energy: 17.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2629.113324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.113324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.113324 (E_RNA) where: Base-Base interactions energy: -1777.109 where: short stacking energy: -771.740 Base-Backbone interact. energy: -1.650 local terms energy: -850.354508 where: bonds (distance) C4'-P energy: -165.148 bonds (distance) P-C4' energy: -167.270 flat angles C4'-P-C4' energy: -179.817 flat angles P-C4'-P energy: -103.837 tors. eta vs tors. theta energy: -234.282 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: 6 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2560.161914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.161914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.161914 (E_RNA) where: Base-Base interactions energy: -1749.650 where: short stacking energy: -733.167 Base-Backbone interact. energy: -1.352 local terms energy: -809.159466 where: bonds (distance) C4'-P energy: -146.261 bonds (distance) P-C4' energy: -172.129 flat angles C4'-P-C4' energy: -177.638 flat angles P-C4'-P energy: -104.721 tors. eta vs tors. theta energy: -208.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2261.989800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.989800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.989800 (E_RNA) where: Base-Base interactions energy: -1504.908 where: short stacking energy: -703.817 Base-Backbone interact. energy: 0.245 local terms energy: -757.326939 where: bonds (distance) C4'-P energy: -154.868 bonds (distance) P-C4' energy: -144.040 flat angles C4'-P-C4' energy: -170.220 flat angles P-C4'-P energy: -114.199 tors. eta vs tors. theta energy: -174.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2165.009826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.009826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.009826 (E_RNA) where: Base-Base interactions energy: -1442.140 where: short stacking energy: -645.429 Base-Backbone interact. energy: -0.693 local terms energy: -722.176514 where: bonds (distance) C4'-P energy: -147.833 bonds (distance) P-C4' energy: -143.635 flat angles C4'-P-C4' energy: -153.219 flat angles P-C4'-P energy: -118.139 tors. eta vs tors. theta energy: -159.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1890.275099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.275099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.275099 (E_RNA) where: Base-Base interactions energy: -1225.588 where: short stacking energy: -546.385 Base-Backbone interact. energy: -1.897 local terms energy: -662.789993 where: bonds (distance) C4'-P energy: -121.842 bonds (distance) P-C4' energy: -139.837 flat angles C4'-P-C4' energy: -169.190 flat angles P-C4'-P energy: -92.866 tors. eta vs tors. theta energy: -139.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1781.620502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.620502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.620502 (E_RNA) where: Base-Base interactions energy: -1165.060 where: short stacking energy: -544.783 Base-Backbone interact. energy: 2.677 local terms energy: -619.237386 where: bonds (distance) C4'-P energy: -141.702 bonds (distance) P-C4' energy: -127.076 flat angles C4'-P-C4' energy: -149.621 flat angles P-C4'-P energy: -84.519 tors. eta vs tors. theta energy: -116.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1550.108957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.108957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.108957 (E_RNA) where: Base-Base interactions energy: -989.829 where: short stacking energy: -452.921 Base-Backbone interact. energy: -3.137 local terms energy: -557.142492 where: bonds (distance) C4'-P energy: -112.391 bonds (distance) P-C4' energy: -136.064 flat angles C4'-P-C4' energy: -157.444 flat angles P-C4'-P energy: -69.442 tors. eta vs tors. theta energy: -81.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1222.105489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.105489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.105489 (E_RNA) where: Base-Base interactions energy: -711.066 where: short stacking energy: -357.181 Base-Backbone interact. energy: 4.302 local terms energy: -515.341826 where: bonds (distance) C4'-P energy: -127.427 bonds (distance) P-C4' energy: -142.566 flat angles C4'-P-C4' energy: -139.131 flat angles P-C4'-P energy: -68.920 tors. eta vs tors. theta energy: -37.299 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: 8 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -850.148670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.148670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.148670 (E_RNA) where: Base-Base interactions energy: -380.517 where: short stacking energy: -256.416 Base-Backbone interact. energy: 0.437 local terms energy: -470.068073 where: bonds (distance) C4'-P energy: -129.653 bonds (distance) P-C4' energy: -139.174 flat angles C4'-P-C4' energy: -134.406 flat angles P-C4'-P energy: -58.391 tors. eta vs tors. theta energy: -8.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -630.011660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.011660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.011660 (E_RNA) where: Base-Base interactions energy: -268.706 where: short stacking energy: -200.177 Base-Backbone interact. energy: -4.294 local terms energy: -357.011778 where: bonds (distance) C4'-P energy: -115.798 bonds (distance) P-C4' energy: -131.438 flat angles C4'-P-C4' energy: -105.659 flat angles P-C4'-P energy: -35.427 tors. eta vs tors. theta energy: 31.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2672.466132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.466132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.466132 (E_RNA) where: Base-Base interactions energy: -1809.740 where: short stacking energy: -805.838 Base-Backbone interact. energy: -1.342 local terms energy: -861.384217 where: bonds (distance) C4'-P energy: -158.976 bonds (distance) P-C4' energy: -160.297 flat angles C4'-P-C4' energy: -195.808 flat angles P-C4'-P energy: -116.835 tors. eta vs tors. theta energy: -229.469 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: 6 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2515.148918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.148918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.148918 (E_RNA) where: Base-Base interactions energy: -1705.269 where: short stacking energy: -741.567 Base-Backbone interact. energy: 7.074 local terms energy: -816.953891 where: bonds (distance) C4'-P energy: -145.870 bonds (distance) P-C4' energy: -166.154 flat angles C4'-P-C4' energy: -195.115 flat angles P-C4'-P energy: -113.352 tors. eta vs tors. theta energy: -196.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2280.733670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.733670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.733670 (E_RNA) where: Base-Base interactions energy: -1499.974 where: short stacking energy: -692.119 Base-Backbone interact. energy: -2.492 local terms energy: -778.266956 where: bonds (distance) C4'-P energy: -159.465 bonds (distance) P-C4' energy: -164.217 flat angles C4'-P-C4' energy: -165.208 flat angles P-C4'-P energy: -95.846 tors. eta vs tors. theta energy: -193.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2193.454714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.454714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.454714 (E_RNA) where: Base-Base interactions energy: -1490.132 where: short stacking energy: -647.117 Base-Backbone interact. energy: -5.352 local terms energy: -697.970445 where: bonds (distance) C4'-P energy: -143.150 bonds (distance) P-C4' energy: -141.286 flat angles C4'-P-C4' energy: -156.681 flat angles P-C4'-P energy: -90.550 tors. eta vs tors. theta energy: -166.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1876.702566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.702566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.702566 (E_RNA) where: Base-Base interactions energy: -1209.624 where: short stacking energy: -559.813 Base-Backbone interact. energy: 0.518 local terms energy: -667.596447 where: bonds (distance) C4'-P energy: -133.979 bonds (distance) P-C4' energy: -152.769 flat angles C4'-P-C4' energy: -136.728 flat angles P-C4'-P energy: -107.445 tors. eta vs tors. theta energy: -136.675 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: 129 Temperature: 1.150000 Total energy: -1865.184830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.184830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.184830 (E_RNA) where: Base-Base interactions energy: -1192.666 where: short stacking energy: -542.618 Base-Backbone interact. energy: -3.807 local terms energy: -668.712130 where: bonds (distance) C4'-P energy: -141.617 bonds (distance) P-C4' energy: -140.244 flat angles C4'-P-C4' energy: -157.555 flat angles P-C4'-P energy: -108.485 tors. eta vs tors. theta energy: -120.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1459.484565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.484565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.484565 (E_RNA) where: Base-Base interactions energy: -882.112 where: short stacking energy: -408.169 Base-Backbone interact. energy: -4.227 local terms energy: -573.145296 where: bonds (distance) C4'-P energy: -136.917 bonds (distance) P-C4' energy: -138.735 flat angles C4'-P-C4' energy: -133.061 flat angles P-C4'-P energy: -83.563 tors. eta vs tors. theta energy: -80.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1254.930790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.930790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.930790 (E_RNA) where: Base-Base interactions energy: -737.715 where: short stacking energy: -369.165 Base-Backbone interact. energy: -2.545 local terms energy: -514.671264 where: bonds (distance) C4'-P energy: -126.775 bonds (distance) P-C4' energy: -145.153 flat angles C4'-P-C4' energy: -123.753 flat angles P-C4'-P energy: -65.870 tors. eta vs tors. theta energy: -53.120 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: 8 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -918.628131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.628131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.628131 (E_RNA) where: Base-Base interactions energy: -453.989 where: short stacking energy: -235.036 Base-Backbone interact. energy: -1.316 local terms energy: -463.323530 where: bonds (distance) C4'-P energy: -122.008 bonds (distance) P-C4' energy: -138.303 flat angles C4'-P-C4' energy: -124.944 flat angles P-C4'-P energy: -89.264 tors. eta vs tors. theta energy: 11.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -709.004504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.004504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.004504 (E_RNA) where: Base-Base interactions energy: -310.895 where: short stacking energy: -222.803 Base-Backbone interact. energy: 4.269 local terms energy: -402.377935 where: bonds (distance) C4'-P energy: -117.955 bonds (distance) P-C4' energy: -117.137 flat angles C4'-P-C4' energy: -136.636 flat angles P-C4'-P energy: -47.544 tors. eta vs tors. theta energy: 16.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2652.445727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.445727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.445727 (E_RNA) where: Base-Base interactions energy: -1791.834 where: short stacking energy: -771.274 Base-Backbone interact. energy: 0.500 local terms energy: -861.111654 where: bonds (distance) C4'-P energy: -161.514 bonds (distance) P-C4' energy: -171.430 flat angles C4'-P-C4' energy: -181.171 flat angles P-C4'-P energy: -123.861 tors. eta vs tors. theta energy: -223.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2498.052144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.052144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.052144 (E_RNA) where: Base-Base interactions energy: -1674.740 where: short stacking energy: -731.590 Base-Backbone interact. energy: -3.204 local terms energy: -820.108530 where: bonds (distance) C4'-P energy: -153.588 bonds (distance) P-C4' energy: -173.433 flat angles C4'-P-C4' energy: -184.565 flat angles P-C4'-P energy: -108.310 tors. eta vs tors. theta energy: -200.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2304.359649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.359649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.359649 (E_RNA) where: Base-Base interactions energy: -1542.457 where: short stacking energy: -715.229 Base-Backbone interact. energy: 0.431 local terms energy: -762.333267 where: bonds (distance) C4'-P energy: -149.370 bonds (distance) P-C4' energy: -163.605 flat angles C4'-P-C4' energy: -159.060 flat angles P-C4'-P energy: -104.891 tors. eta vs tors. theta energy: -185.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2237.205735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.205735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.205735 (E_RNA) where: Base-Base interactions energy: -1497.239 where: short stacking energy: -661.545 Base-Backbone interact. energy: -0.034 local terms energy: -739.933497 where: bonds (distance) C4'-P energy: -143.296 bonds (distance) P-C4' energy: -158.430 flat angles C4'-P-C4' energy: -163.406 flat angles P-C4'-P energy: -109.854 tors. eta vs tors. theta energy: -164.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1935.782528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.782528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.782528 (E_RNA) where: Base-Base interactions energy: -1285.429 where: short stacking energy: -578.890 Base-Backbone interact. energy: 0.171 local terms energy: -650.524767 where: bonds (distance) C4'-P energy: -146.569 bonds (distance) P-C4' energy: -139.732 flat angles C4'-P-C4' energy: -136.727 flat angles P-C4'-P energy: -89.017 tors. eta vs tors. theta energy: -138.479 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: 2 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1839.041474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.041474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.041474 (E_RNA) where: Base-Base interactions energy: -1184.586 where: short stacking energy: -542.226 Base-Backbone interact. energy: 2.790 local terms energy: -657.245367 where: bonds (distance) C4'-P energy: -151.205 bonds (distance) P-C4' energy: -152.703 flat angles C4'-P-C4' energy: -142.474 flat angles P-C4'-P energy: -86.334 tors. eta vs tors. theta energy: -124.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1461.747874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.747874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.747874 (E_RNA) where: Base-Base interactions energy: -865.161 where: short stacking energy: -424.395 Base-Backbone interact. energy: -4.615 local terms energy: -591.971928 where: bonds (distance) C4'-P energy: -135.719 bonds (distance) P-C4' energy: -156.026 flat angles C4'-P-C4' energy: -145.725 flat angles P-C4'-P energy: -82.914 tors. eta vs tors. theta energy: -71.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1226.234631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.234631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.234631 (E_RNA) where: Base-Base interactions energy: -694.833 where: short stacking energy: -329.480 Base-Backbone interact. energy: 0.292 local terms energy: -531.694186 where: bonds (distance) C4'-P energy: -139.385 bonds (distance) P-C4' energy: -146.428 flat angles C4'-P-C4' energy: -138.688 flat angles P-C4'-P energy: -75.027 tors. eta vs tors. theta energy: -32.166 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: 8 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -943.095805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.095805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.095805 (E_RNA) where: Base-Base interactions energy: -499.006 where: short stacking energy: -291.754 Base-Backbone interact. energy: 0.496 local terms energy: -444.585635 where: bonds (distance) C4'-P energy: -127.380 bonds (distance) P-C4' energy: -142.598 flat angles C4'-P-C4' energy: -100.816 flat angles P-C4'-P energy: -54.154 tors. eta vs tors. theta energy: -19.637 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: 7 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -662.595353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.595353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.595353 (E_RNA) where: Base-Base interactions energy: -254.630 where: short stacking energy: -161.002 Base-Backbone interact. energy: 9.883 local terms energy: -417.847954 where: bonds (distance) C4'-P energy: -134.277 bonds (distance) P-C4' energy: -130.722 flat angles C4'-P-C4' energy: -109.643 flat angles P-C4'-P energy: -74.699 tors. eta vs tors. theta energy: 31.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2650.577485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.577485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.577485 (E_RNA) where: Base-Base interactions energy: -1817.228 where: short stacking energy: -796.433 Base-Backbone interact. energy: 0.389 local terms energy: -833.738511 where: bonds (distance) C4'-P energy: -164.375 bonds (distance) P-C4' energy: -166.812 flat angles C4'-P-C4' energy: -181.142 flat angles P-C4'-P energy: -103.471 tors. eta vs tors. theta energy: -217.939 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: 6 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2476.686363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.686363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.686363 (E_RNA) where: Base-Base interactions energy: -1695.579 where: short stacking energy: -730.275 Base-Backbone interact. energy: 0.330 local terms energy: -781.436695 where: bonds (distance) C4'-P energy: -140.170 bonds (distance) P-C4' energy: -147.786 flat angles C4'-P-C4' energy: -180.117 flat angles P-C4'-P energy: -113.570 tors. eta vs tors. theta energy: -199.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2279.463242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.463242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.463242 (E_RNA) where: Base-Base interactions energy: -1500.652 where: short stacking energy: -709.374 Base-Backbone interact. energy: -2.351 local terms energy: -776.460076 where: bonds (distance) C4'-P energy: -156.744 bonds (distance) P-C4' energy: -141.815 flat angles C4'-P-C4' energy: -188.299 flat angles P-C4'-P energy: -107.806 tors. eta vs tors. theta energy: -181.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2166.448818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.448818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.448818 (E_RNA) where: Base-Base interactions energy: -1434.049 where: short stacking energy: -644.302 Base-Backbone interact. energy: -0.860 local terms energy: -731.540008 where: bonds (distance) C4'-P energy: -156.274 bonds (distance) P-C4' energy: -163.649 flat angles C4'-P-C4' energy: -149.528 flat angles P-C4'-P energy: -106.483 tors. eta vs tors. theta energy: -155.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1982.963956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.963956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.963956 (E_RNA) where: Base-Base interactions energy: -1286.738 where: short stacking energy: -575.858 Base-Backbone interact. energy: -4.502 local terms energy: -691.724278 where: bonds (distance) C4'-P energy: -142.161 bonds (distance) P-C4' energy: -155.380 flat angles C4'-P-C4' energy: -157.306 flat angles P-C4'-P energy: -108.331 tors. eta vs tors. theta energy: -128.546 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: 2 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1768.747853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.747853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.747853 (E_RNA) where: Base-Base interactions energy: -1108.300 where: short stacking energy: -523.794 Base-Backbone interact. energy: -4.579 local terms energy: -655.869524 where: bonds (distance) C4'-P energy: -137.793 bonds (distance) P-C4' energy: -154.828 flat angles C4'-P-C4' energy: -155.278 flat angles P-C4'-P energy: -95.534 tors. eta vs tors. theta energy: -112.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1512.436663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.436663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.436663 (E_RNA) where: Base-Base interactions energy: -964.154 where: short stacking energy: -449.587 Base-Backbone interact. energy: -2.649 local terms energy: -545.633458 where: bonds (distance) C4'-P energy: -109.063 bonds (distance) P-C4' energy: -155.456 flat angles C4'-P-C4' energy: -137.635 flat angles P-C4'-P energy: -64.618 tors. eta vs tors. theta energy: -78.862 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: 8, replica: 4 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1151.647202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.647202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.647202 (E_RNA) where: Base-Base interactions energy: -629.014 where: short stacking energy: -324.018 Base-Backbone interact. energy: -0.185 local terms energy: -522.447795 where: bonds (distance) C4'-P energy: -119.857 bonds (distance) P-C4' energy: -144.652 flat angles C4'-P-C4' energy: -140.768 flat angles P-C4'-P energy: -89.006 tors. eta vs tors. theta energy: -28.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -987.968898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.968898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.968898 (E_RNA) where: Base-Base interactions energy: -523.582 where: short stacking energy: -281.681 Base-Backbone interact. energy: 1.985 local terms energy: -466.372241 where: bonds (distance) C4'-P energy: -136.336 bonds (distance) P-C4' energy: -128.415 flat angles C4'-P-C4' energy: -139.821 flat angles P-C4'-P energy: -54.615 tors. eta vs tors. theta energy: -7.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -714.391499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.391499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.391499 (E_RNA) where: Base-Base interactions energy: -269.262 where: short stacking energy: -198.675 Base-Backbone interact. energy: -4.863 local terms energy: -440.266498 where: bonds (distance) C4'-P energy: -137.348 bonds (distance) P-C4' energy: -122.128 flat angles C4'-P-C4' energy: -114.544 flat angles P-C4'-P energy: -77.680 tors. eta vs tors. theta energy: 11.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2671.457735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.457735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.457735 (E_RNA) where: Base-Base interactions energy: -1800.531 where: short stacking energy: -780.580 Base-Backbone interact. energy: 1.164 local terms energy: -872.090814 where: bonds (distance) C4'-P energy: -159.862 bonds (distance) P-C4' energy: -168.622 flat angles C4'-P-C4' energy: -184.389 flat angles P-C4'-P energy: -122.935 tors. eta vs tors. theta energy: -236.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2548.671714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.671714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.671714 (E_RNA) where: Base-Base interactions energy: -1722.569 where: short stacking energy: -742.126 Base-Backbone interact. energy: -5.470 local terms energy: -820.632669 where: bonds (distance) C4'-P energy: -154.429 bonds (distance) P-C4' energy: -146.159 flat angles C4'-P-C4' energy: -182.660 flat angles P-C4'-P energy: -122.044 tors. eta vs tors. theta energy: -215.341 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: 1 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2280.271675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.271675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.271675 (E_RNA) where: Base-Base interactions energy: -1513.061 where: short stacking energy: -700.495 Base-Backbone interact. energy: -3.116 local terms energy: -764.094507 where: bonds (distance) C4'-P energy: -143.969 bonds (distance) P-C4' energy: -154.970 flat angles C4'-P-C4' energy: -168.684 flat angles P-C4'-P energy: -114.974 tors. eta vs tors. theta energy: -181.497 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: 9 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2115.656147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.656147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.656147 (E_RNA) where: Base-Base interactions energy: -1420.744 where: short stacking energy: -610.415 Base-Backbone interact. energy: -2.383 local terms energy: -692.529036 where: bonds (distance) C4'-P energy: -123.502 bonds (distance) P-C4' energy: -164.571 flat angles C4'-P-C4' energy: -164.503 flat angles P-C4'-P energy: -86.428 tors. eta vs tors. theta energy: -153.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1984.993359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.993359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.993359 (E_RNA) where: Base-Base interactions energy: -1301.049 where: short stacking energy: -608.634 Base-Backbone interact. energy: 0.663 local terms energy: -684.607632 where: bonds (distance) C4'-P energy: -150.690 bonds (distance) P-C4' energy: -130.250 flat angles C4'-P-C4' energy: -154.731 flat angles P-C4'-P energy: -105.030 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: 6, replica: 2 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1783.746829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.746829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.746829 (E_RNA) where: Base-Base interactions energy: -1135.698 where: short stacking energy: -514.628 Base-Backbone interact. energy: -1.159 local terms energy: -646.889905 where: bonds (distance) C4'-P energy: -127.959 bonds (distance) P-C4' energy: -157.166 flat angles C4'-P-C4' energy: -148.787 flat angles P-C4'-P energy: -98.035 tors. eta vs tors. theta energy: -114.943 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: 10 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1442.216246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.216246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.216246 (E_RNA) where: Base-Base interactions energy: -870.158 where: short stacking energy: -420.986 Base-Backbone interact. energy: 2.197 local terms energy: -574.254909 where: bonds (distance) C4'-P energy: -146.799 bonds (distance) P-C4' energy: -121.254 flat angles C4'-P-C4' energy: -141.789 flat angles P-C4'-P energy: -94.588 tors. eta vs tors. theta energy: -69.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1254.232132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.232132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.232132 (E_RNA) where: Base-Base interactions energy: -692.413 where: short stacking energy: -364.446 Base-Backbone interact. energy: -0.309 local terms energy: -561.510955 where: bonds (distance) C4'-P energy: -146.202 bonds (distance) P-C4' energy: -166.343 flat angles C4'-P-C4' energy: -130.835 flat angles P-C4'-P energy: -63.356 tors. eta vs tors. theta energy: -54.775 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: 8 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -907.512832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.512832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.512832 (E_RNA) where: Base-Base interactions energy: -455.888 where: short stacking energy: -242.964 Base-Backbone interact. energy: 0.115 local terms energy: -451.739448 where: bonds (distance) C4'-P energy: -138.206 bonds (distance) P-C4' energy: -146.664 flat angles C4'-P-C4' energy: -116.045 flat angles P-C4'-P energy: -57.328 tors. eta vs tors. theta energy: 6.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -738.390758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.390758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.390758 (E_RNA) where: Base-Base interactions energy: -329.451 where: short stacking energy: -213.611 Base-Backbone interact. energy: 8.295 local terms energy: -417.235114 where: bonds (distance) C4'-P energy: -110.995 bonds (distance) P-C4' energy: -147.403 flat angles C4'-P-C4' energy: -101.946 flat angles P-C4'-P energy: -71.219 tors. eta vs tors. theta energy: 14.328 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: 3 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2676.175976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.175976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.175976 (E_RNA) where: Base-Base interactions energy: -1810.687 where: short stacking energy: -763.353 Base-Backbone interact. energy: -4.258 local terms energy: -861.230641 where: bonds (distance) C4'-P energy: -170.624 bonds (distance) P-C4' energy: -164.628 flat angles C4'-P-C4' energy: -179.216 flat angles P-C4'-P energy: -119.865 tors. eta vs tors. theta energy: -226.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2525.170568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.170568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.170568 (E_RNA) where: Base-Base interactions energy: -1704.059 where: short stacking energy: -759.215 Base-Backbone interact. energy: -6.337 local terms energy: -814.774519 where: bonds (distance) C4'-P energy: -160.730 bonds (distance) P-C4' energy: -166.584 flat angles C4'-P-C4' energy: -176.599 flat angles P-C4'-P energy: -108.853 tors. eta vs tors. theta energy: -202.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2369.431230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.431230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.431230 (E_RNA) where: Base-Base interactions energy: -1606.398 where: short stacking energy: -700.148 Base-Backbone interact. energy: -1.596 local terms energy: -761.436526 where: bonds (distance) C4'-P energy: -137.462 bonds (distance) P-C4' energy: -153.175 flat angles C4'-P-C4' energy: -175.410 flat angles P-C4'-P energy: -101.262 tors. eta vs tors. theta energy: -194.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2139.952093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.952093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.952093 (E_RNA) where: Base-Base interactions energy: -1422.618 where: short stacking energy: -642.076 Base-Backbone interact. energy: 1.172 local terms energy: -718.506184 where: bonds (distance) C4'-P energy: -140.675 bonds (distance) P-C4' energy: -158.156 flat angles C4'-P-C4' energy: -158.625 flat angles P-C4'-P energy: -92.782 tors. eta vs tors. theta energy: -168.268 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: 5 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2022.203803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.203803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.203803 (E_RNA) where: Base-Base interactions energy: -1314.072 where: short stacking energy: -618.484 Base-Backbone interact. energy: 0.945 local terms energy: -709.076069 where: bonds (distance) C4'-P energy: -132.378 bonds (distance) P-C4' energy: -158.290 flat angles C4'-P-C4' energy: -160.595 flat angles P-C4'-P energy: -92.507 tors. eta vs tors. theta energy: -165.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1833.387683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.387683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.387683 (E_RNA) where: Base-Base interactions energy: -1148.525 where: short stacking energy: -539.110 Base-Backbone interact. energy: -2.309 local terms energy: -682.553746 where: bonds (distance) C4'-P energy: -149.486 bonds (distance) P-C4' energy: -150.763 flat angles C4'-P-C4' energy: -144.644 flat angles P-C4'-P energy: -105.665 tors. eta vs tors. theta energy: -131.996 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: 10 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1521.276348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.276348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.276348 (E_RNA) where: Base-Base interactions energy: -923.854 where: short stacking energy: -477.989 Base-Backbone interact. energy: 5.951 local terms energy: -603.373469 where: bonds (distance) C4'-P energy: -135.596 bonds (distance) P-C4' energy: -162.681 flat angles C4'-P-C4' energy: -134.582 flat angles P-C4'-P energy: -79.829 tors. eta vs tors. theta energy: -90.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1196.816243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.816243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.816243 (E_RNA) where: Base-Base interactions energy: -669.134 where: short stacking energy: -334.320 Base-Backbone interact. energy: -2.617 local terms energy: -525.064889 where: bonds (distance) C4'-P energy: -145.637 bonds (distance) P-C4' energy: -127.868 flat angles C4'-P-C4' energy: -137.270 flat angles P-C4'-P energy: -71.733 tors. eta vs tors. theta energy: -42.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -895.292722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.292722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.292722 (E_RNA) where: Base-Base interactions energy: -456.806 where: short stacking energy: -247.082 Base-Backbone interact. energy: 4.045 local terms energy: -442.530962 where: bonds (distance) C4'-P energy: -135.849 bonds (distance) P-C4' energy: -132.876 flat angles C4'-P-C4' energy: -111.833 flat angles P-C4'-P energy: -63.674 tors. eta vs tors. theta energy: 1.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -690.507020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.507020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.507020 (E_RNA) where: Base-Base interactions energy: -295.639 where: short stacking energy: -182.939 Base-Backbone interact. energy: -2.944 local terms energy: -391.924295 where: bonds (distance) C4'-P energy: -123.560 bonds (distance) P-C4' energy: -125.147 flat angles C4'-P-C4' energy: -115.358 flat angles P-C4'-P energy: -50.727 tors. eta vs tors. theta energy: 22.868 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: 3 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2694.955172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.955172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.955172 (E_RNA) where: Base-Base interactions energy: -1828.102 where: short stacking energy: -804.808 Base-Backbone interact. energy: -2.741 local terms energy: -864.111247 where: bonds (distance) C4'-P energy: -150.678 bonds (distance) P-C4' energy: -157.250 flat angles C4'-P-C4' energy: -193.216 flat angles P-C4'-P energy: -133.687 tors. eta vs tors. theta energy: -229.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2492.098937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.098937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.098937 (E_RNA) where: Base-Base interactions energy: -1671.372 where: short stacking energy: -741.813 Base-Backbone interact. energy: -3.509 local terms energy: -817.217398 where: bonds (distance) C4'-P energy: -168.237 bonds (distance) P-C4' energy: -158.868 flat angles C4'-P-C4' energy: -169.247 flat angles P-C4'-P energy: -111.144 tors. eta vs tors. theta energy: -209.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2310.222710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.222710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.222710 (E_RNA) where: Base-Base interactions energy: -1514.804 where: short stacking energy: -669.213 Base-Backbone interact. energy: 0.749 local terms energy: -796.167821 where: bonds (distance) C4'-P energy: -162.420 bonds (distance) P-C4' energy: -156.489 flat angles C4'-P-C4' energy: -162.718 flat angles P-C4'-P energy: -126.881 tors. eta vs tors. theta energy: -187.660 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: 9 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2180.347867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.347867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.347867 (E_RNA) where: Base-Base interactions energy: -1454.171 where: short stacking energy: -648.513 Base-Backbone interact. energy: 0.176 local terms energy: -726.352863 where: bonds (distance) C4'-P energy: -149.332 bonds (distance) P-C4' energy: -160.745 flat angles C4'-P-C4' energy: -162.540 flat angles P-C4'-P energy: -93.449 tors. eta vs tors. theta energy: -160.286 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: 5, replica: 5 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2006.282267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.282267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.282267 (E_RNA) where: Base-Base interactions energy: -1284.216 where: short stacking energy: -580.300 Base-Backbone interact. energy: 0.068 local terms energy: -722.133715 where: bonds (distance) C4'-P energy: -162.852 bonds (distance) P-C4' energy: -144.067 flat angles C4'-P-C4' energy: -172.570 flat angles P-C4'-P energy: -105.413 tors. eta vs tors. theta energy: -137.232 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: 2 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1815.851238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.851238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.851238 (E_RNA) where: Base-Base interactions energy: -1150.241 where: short stacking energy: -555.456 Base-Backbone interact. energy: -1.049 local terms energy: -664.561545 where: bonds (distance) C4'-P energy: -125.862 bonds (distance) P-C4' energy: -155.233 flat angles C4'-P-C4' energy: -148.823 flat angles P-C4'-P energy: -106.166 tors. eta vs tors. theta energy: -128.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1466.905344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.905344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.905344 (E_RNA) where: Base-Base interactions energy: -862.310 where: short stacking energy: -397.107 Base-Backbone interact. energy: -2.249 local terms energy: -602.346156 where: bonds (distance) C4'-P energy: -144.254 bonds (distance) P-C4' energy: -148.605 flat angles C4'-P-C4' energy: -148.441 flat angles P-C4'-P energy: -87.175 tors. eta vs tors. theta energy: -73.872 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: 4 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1229.313406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.313406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.313406 (E_RNA) where: Base-Base interactions energy: -666.017 where: short stacking energy: -337.304 Base-Backbone interact. energy: -2.636 local terms energy: -560.661148 where: bonds (distance) C4'-P energy: -148.930 bonds (distance) P-C4' energy: -128.132 flat angles C4'-P-C4' energy: -122.217 flat angles P-C4'-P energy: -97.060 tors. eta vs tors. theta energy: -64.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -920.841589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.841589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.841589 (E_RNA) where: Base-Base interactions energy: -459.738 where: short stacking energy: -239.755 Base-Backbone interact. energy: 2.638 local terms energy: -463.741320 where: bonds (distance) C4'-P energy: -133.101 bonds (distance) P-C4' energy: -131.320 flat angles C4'-P-C4' energy: -130.544 flat angles P-C4'-P energy: -84.425 tors. eta vs tors. theta energy: 15.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -701.066365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.066365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.066365 (E_RNA) where: Base-Base interactions energy: -309.393 where: short stacking energy: -192.005 Base-Backbone interact. energy: 0.008 local terms energy: -391.680949 where: bonds (distance) C4'-P energy: -126.480 bonds (distance) P-C4' energy: -145.147 flat angles C4'-P-C4' energy: -89.458 flat angles P-C4'-P energy: -53.375 tors. eta vs tors. theta energy: 22.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2644.511803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.511803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.511803 (E_RNA) where: Base-Base interactions energy: -1786.884 where: short stacking energy: -783.383 Base-Backbone interact. energy: 2.762 local terms energy: -860.389047 where: bonds (distance) C4'-P energy: -166.534 bonds (distance) P-C4' energy: -170.137 flat angles C4'-P-C4' energy: -176.744 flat angles P-C4'-P energy: -123.964 tors. eta vs tors. theta energy: -223.011 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: 2, replica: 6 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2536.912562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.912562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.912562 (E_RNA) where: Base-Base interactions energy: -1725.912 where: short stacking energy: -756.900 Base-Backbone interact. energy: -2.914 local terms energy: -808.087076 where: bonds (distance) C4'-P energy: -170.454 bonds (distance) P-C4' energy: -159.151 flat angles C4'-P-C4' energy: -165.525 flat angles P-C4'-P energy: -113.822 tors. eta vs tors. theta energy: -199.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2349.722853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.722853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.722853 (E_RNA) where: Base-Base interactions energy: -1576.835 where: short stacking energy: -719.401 Base-Backbone interact. energy: -2.046 local terms energy: -770.842238 where: bonds (distance) C4'-P energy: -150.196 bonds (distance) P-C4' energy: -157.486 flat angles C4'-P-C4' energy: -167.864 flat angles P-C4'-P energy: -113.449 tors. eta vs tors. theta energy: -181.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2146.339786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.339786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.339786 (E_RNA) where: Base-Base interactions energy: -1405.919 where: short stacking energy: -645.775 Base-Backbone interact. energy: -4.861 local terms energy: -735.560259 where: bonds (distance) C4'-P energy: -148.089 bonds (distance) P-C4' energy: -153.284 flat angles C4'-P-C4' energy: -163.770 flat angles P-C4'-P energy: -107.363 tors. eta vs tors. theta energy: -163.054 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: 5 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2026.729507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.729507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.729507 (E_RNA) where: Base-Base interactions energy: -1292.932 where: short stacking energy: -591.293 Base-Backbone interact. energy: 0.203 local terms energy: -733.999973 where: bonds (distance) C4'-P energy: -144.697 bonds (distance) P-C4' energy: -159.973 flat angles C4'-P-C4' energy: -153.261 flat angles P-C4'-P energy: -108.869 tors. eta vs tors. theta energy: -167.200 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: 135 Temperature: 1.150000 Total energy: -1727.793179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.793179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.793179 (E_RNA) where: Base-Base interactions energy: -1088.916 where: short stacking energy: -506.143 Base-Backbone interact. energy: -3.595 local terms energy: -635.281282 where: bonds (distance) C4'-P energy: -143.470 bonds (distance) P-C4' energy: -144.556 flat angles C4'-P-C4' energy: -138.677 flat angles P-C4'-P energy: -88.415 tors. eta vs tors. theta energy: -120.164 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: 7, replica: 10 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1446.472706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.472706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.472706 (E_RNA) where: Base-Base interactions energy: -838.440 where: short stacking energy: -433.888 Base-Backbone interact. energy: 1.594 local terms energy: -609.626658 where: bonds (distance) C4'-P energy: -151.102 bonds (distance) P-C4' energy: -142.219 flat angles C4'-P-C4' energy: -135.452 flat angles P-C4'-P energy: -93.118 tors. eta vs tors. theta energy: -87.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1211.989464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.989464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.989464 (E_RNA) where: Base-Base interactions energy: -695.679 where: short stacking energy: -334.807 Base-Backbone interact. energy: -1.661 local terms energy: -514.648843 where: bonds (distance) C4'-P energy: -132.291 bonds (distance) P-C4' energy: -138.802 flat angles C4'-P-C4' energy: -125.536 flat angles P-C4'-P energy: -75.616 tors. eta vs tors. theta energy: -42.403 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: 8 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -931.633653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.633653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.633653 (E_RNA) where: Base-Base interactions energy: -491.827 where: short stacking energy: -234.324 Base-Backbone interact. energy: 6.438 local terms energy: -446.245130 where: bonds (distance) C4'-P energy: -138.607 bonds (distance) P-C4' energy: -128.477 flat angles C4'-P-C4' energy: -128.526 flat angles P-C4'-P energy: -73.735 tors. eta vs tors. theta energy: 23.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -756.041109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.041109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.041109 (E_RNA) where: Base-Base interactions energy: -357.962 where: short stacking energy: -230.745 Base-Backbone interact. energy: -2.902 local terms energy: -395.177020 where: bonds (distance) C4'-P energy: -107.046 bonds (distance) P-C4' energy: -144.146 flat angles C4'-P-C4' energy: -107.827 flat angles P-C4'-P energy: -58.303 tors. eta vs tors. theta energy: 22.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2628.758094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.758094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.758094 (E_RNA) where: Base-Base interactions energy: -1793.763 where: short stacking energy: -763.686 Base-Backbone interact. energy: -1.946 local terms energy: -833.048813 where: bonds (distance) C4'-P energy: -150.260 bonds (distance) P-C4' energy: -152.652 flat angles C4'-P-C4' energy: -182.319 flat angles P-C4'-P energy: -117.942 tors. eta vs tors. theta energy: -229.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2534.001605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.001605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.001605 (E_RNA) where: Base-Base interactions energy: -1689.540 where: short stacking energy: -733.547 Base-Backbone interact. energy: -7.073 local terms energy: -837.389240 where: bonds (distance) C4'-P energy: -170.256 bonds (distance) P-C4' energy: -170.625 flat angles C4'-P-C4' energy: -181.285 flat angles P-C4'-P energy: -110.680 tors. eta vs tors. theta energy: -204.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2342.924525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.924525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.924525 (E_RNA) where: Base-Base interactions energy: -1581.730 where: short stacking energy: -715.895 Base-Backbone interact. energy: -0.719 local terms energy: -760.475458 where: bonds (distance) C4'-P energy: -135.317 bonds (distance) P-C4' energy: -150.425 flat angles C4'-P-C4' energy: -169.880 flat angles P-C4'-P energy: -118.188 tors. eta vs tors. theta energy: -186.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2146.597537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.597537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.597537 (E_RNA) where: Base-Base interactions energy: -1426.570 where: short stacking energy: -629.473 Base-Backbone interact. energy: -7.053 local terms energy: -712.974680 where: bonds (distance) C4'-P energy: -151.517 bonds (distance) P-C4' energy: -144.389 flat angles C4'-P-C4' energy: -162.910 flat angles P-C4'-P energy: -94.668 tors. eta vs tors. theta energy: -159.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2019.155417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.155417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.155417 (E_RNA) where: Base-Base interactions energy: -1297.417 where: short stacking energy: -628.020 Base-Backbone interact. energy: 0.022 local terms energy: -721.761056 where: bonds (distance) C4'-P energy: -143.866 bonds (distance) P-C4' energy: -143.636 flat angles C4'-P-C4' energy: -155.944 flat angles P-C4'-P energy: -116.328 tors. eta vs tors. theta energy: -161.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1692.722304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.722304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.722304 (E_RNA) where: Base-Base interactions energy: -1069.716 where: short stacking energy: -511.617 Base-Backbone interact. energy: 1.750 local terms energy: -624.755714 where: bonds (distance) C4'-P energy: -135.690 bonds (distance) P-C4' energy: -126.597 flat angles C4'-P-C4' energy: -145.735 flat angles P-C4'-P energy: -92.230 tors. eta vs tors. theta energy: -124.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1417.734381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.734381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.734381 (E_RNA) where: Base-Base interactions energy: -870.094 where: short stacking energy: -433.989 Base-Backbone interact. energy: 0.083 local terms energy: -547.722608 where: bonds (distance) C4'-P energy: -132.221 bonds (distance) P-C4' energy: -148.809 flat angles C4'-P-C4' energy: -112.008 flat angles P-C4'-P energy: -70.795 tors. eta vs tors. theta energy: -83.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1198.753630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.753630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.753630 (E_RNA) where: Base-Base interactions energy: -683.624 where: short stacking energy: -335.863 Base-Backbone interact. energy: 1.251 local terms energy: -516.380603 where: bonds (distance) C4'-P energy: -144.502 bonds (distance) P-C4' energy: -129.787 flat angles C4'-P-C4' energy: -141.468 flat angles P-C4'-P energy: -72.013 tors. eta vs tors. theta energy: -28.610 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: 8 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -811.309859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.309859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.309859 (E_RNA) where: Base-Base interactions energy: -366.598 where: short stacking energy: -263.959 Base-Backbone interact. energy: -2.240 local terms energy: -442.471782 where: bonds (distance) C4'-P energy: -135.746 bonds (distance) P-C4' energy: -127.095 flat angles C4'-P-C4' energy: -111.238 flat angles P-C4'-P energy: -62.275 tors. eta vs tors. theta energy: -6.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -747.460249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.460249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.460249 (E_RNA) where: Base-Base interactions energy: -342.125 where: short stacking energy: -226.221 Base-Backbone interact. energy: 3.105 local terms energy: -408.439962 where: bonds (distance) C4'-P energy: -129.434 bonds (distance) P-C4' energy: -141.717 flat angles C4'-P-C4' energy: -98.057 flat angles P-C4'-P energy: -50.929 tors. eta vs tors. theta energy: 11.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2628.213657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.213657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.213657 (E_RNA) where: Base-Base interactions energy: -1794.294 where: short stacking energy: -801.777 Base-Backbone interact. energy: -1.099 local terms energy: -832.820104 where: bonds (distance) C4'-P energy: -159.998 bonds (distance) P-C4' energy: -165.237 flat angles C4'-P-C4' energy: -186.746 flat angles P-C4'-P energy: -92.208 tors. eta vs tors. theta energy: -228.632 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: 2, replica: 6 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2526.466763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.466763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.466763 (E_RNA) where: Base-Base interactions energy: -1716.799 where: short stacking energy: -748.706 Base-Backbone interact. energy: 3.267 local terms energy: -812.935085 where: bonds (distance) C4'-P energy: -160.701 bonds (distance) P-C4' energy: -142.625 flat angles C4'-P-C4' energy: -178.374 flat angles P-C4'-P energy: -126.842 tors. eta vs tors. theta energy: -204.394 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: 1 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2354.096643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.096643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.096643 (E_RNA) where: Base-Base interactions energy: -1560.224 where: short stacking energy: -695.128 Base-Backbone interact. energy: -1.377 local terms energy: -792.496317 where: bonds (distance) C4'-P energy: -150.622 bonds (distance) P-C4' energy: -146.353 flat angles C4'-P-C4' energy: -166.909 flat angles P-C4'-P energy: -125.111 tors. eta vs tors. theta energy: -203.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2105.918384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.918384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.918384 (E_RNA) where: Base-Base interactions energy: -1395.281 where: short stacking energy: -598.219 Base-Backbone interact. energy: 2.905 local terms energy: -713.542978 where: bonds (distance) C4'-P energy: -142.687 bonds (distance) P-C4' energy: -146.696 flat angles C4'-P-C4' energy: -171.972 flat angles P-C4'-P energy: -100.972 tors. eta vs tors. theta energy: -151.216 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: 5 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2002.770233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.770233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.770233 (E_RNA) where: Base-Base interactions energy: -1326.651 where: short stacking energy: -624.042 Base-Backbone interact. energy: -0.299 local terms energy: -675.819926 where: bonds (distance) C4'-P energy: -151.920 bonds (distance) P-C4' energy: -127.114 flat angles C4'-P-C4' energy: -160.442 flat angles P-C4'-P energy: -84.128 tors. eta vs tors. theta energy: -152.215 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: 2 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1771.068716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.068716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.068716 (E_RNA) where: Base-Base interactions energy: -1132.101 where: short stacking energy: -518.080 Base-Backbone interact. energy: -4.339 local terms energy: -634.628781 where: bonds (distance) C4'-P energy: -152.017 bonds (distance) P-C4' energy: -130.225 flat angles C4'-P-C4' energy: -146.745 flat angles P-C4'-P energy: -91.706 tors. eta vs tors. theta energy: -113.936 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: 10 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1454.851710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.851710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.851710 (E_RNA) where: Base-Base interactions energy: -868.592 where: short stacking energy: -423.016 Base-Backbone interact. energy: -2.308 local terms energy: -583.951717 where: bonds (distance) C4'-P energy: -136.449 bonds (distance) P-C4' energy: -148.385 flat angles C4'-P-C4' energy: -132.768 flat angles P-C4'-P energy: -84.052 tors. eta vs tors. theta energy: -82.299 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: 4 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1305.909722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.909722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.909722 (E_RNA) where: Base-Base interactions energy: -738.494 where: short stacking energy: -384.935 Base-Backbone interact. energy: -2.678 local terms energy: -564.738137 where: bonds (distance) C4'-P energy: -111.533 bonds (distance) P-C4' energy: -142.434 flat angles C4'-P-C4' energy: -135.986 flat angles P-C4'-P energy: -98.050 tors. eta vs tors. theta energy: -76.736 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: 8 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -856.510127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.510127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.510127 (E_RNA) where: Base-Base interactions energy: -413.107 where: short stacking energy: -237.161 Base-Backbone interact. energy: -0.479 local terms energy: -442.924211 where: bonds (distance) C4'-P energy: -123.347 bonds (distance) P-C4' energy: -137.465 flat angles C4'-P-C4' energy: -94.184 flat angles P-C4'-P energy: -82.560 tors. eta vs tors. theta energy: -5.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -811.203358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.203358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.203358 (E_RNA) where: Base-Base interactions energy: -400.841 where: short stacking energy: -253.046 Base-Backbone interact. energy: -2.987 local terms energy: -407.375341 where: bonds (distance) C4'-P energy: -128.898 bonds (distance) P-C4' energy: -137.128 flat angles C4'-P-C4' energy: -107.150 flat angles P-C4'-P energy: -57.288 tors. eta vs tors. theta energy: 23.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2669.005766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.005766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.005766 (E_RNA) where: Base-Base interactions energy: -1808.875 where: short stacking energy: -777.831 Base-Backbone interact. energy: 0.285 local terms energy: -860.415499 where: bonds (distance) C4'-P energy: -166.323 bonds (distance) P-C4' energy: -163.066 flat angles C4'-P-C4' energy: -182.415 flat angles P-C4'-P energy: -131.253 tors. eta vs tors. theta energy: -217.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2516.080749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.080749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.080749 (E_RNA) where: Base-Base interactions energy: -1703.498 where: short stacking energy: -746.636 Base-Backbone interact. energy: -3.161 local terms energy: -809.421405 where: bonds (distance) C4'-P energy: -152.563 bonds (distance) P-C4' energy: -155.875 flat angles C4'-P-C4' energy: -182.160 flat angles P-C4'-P energy: -104.610 tors. eta vs tors. theta energy: -214.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2331.482417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.482417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.482417 (E_RNA) where: Base-Base interactions energy: -1571.207 where: short stacking energy: -715.861 Base-Backbone interact. energy: -1.854 local terms energy: -758.420878 where: bonds (distance) C4'-P energy: -146.648 bonds (distance) P-C4' energy: -149.222 flat angles C4'-P-C4' energy: -160.622 flat angles P-C4'-P energy: -100.936 tors. eta vs tors. theta energy: -200.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2196.614213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.614213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.614213 (E_RNA) where: Base-Base interactions energy: -1466.595 where: short stacking energy: -633.951 Base-Backbone interact. energy: -2.108 local terms energy: -727.911188 where: bonds (distance) C4'-P energy: -142.809 bonds (distance) P-C4' energy: -144.564 flat angles C4'-P-C4' energy: -160.159 flat angles P-C4'-P energy: -112.812 tors. eta vs tors. theta energy: -167.567 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: 5 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2060.631244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.631244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.631244 (E_RNA) where: Base-Base interactions energy: -1350.284 where: short stacking energy: -614.389 Base-Backbone interact. energy: -3.751 local terms energy: -706.596797 where: bonds (distance) C4'-P energy: -149.167 bonds (distance) P-C4' energy: -145.972 flat angles C4'-P-C4' energy: -154.461 flat angles P-C4'-P energy: -103.070 tors. eta vs tors. theta energy: -153.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1774.480492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.480492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.480492 (E_RNA) where: Base-Base interactions energy: -1144.630 where: short stacking energy: -522.331 Base-Backbone interact. energy: 2.109 local terms energy: -631.959377 where: bonds (distance) C4'-P energy: -123.910 bonds (distance) P-C4' energy: -145.504 flat angles C4'-P-C4' energy: -149.286 flat angles P-C4'-P energy: -93.314 tors. eta vs tors. theta energy: -119.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1417.221701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.221701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.221701 (E_RNA) where: Base-Base interactions energy: -822.913 where: short stacking energy: -408.062 Base-Backbone interact. energy: -2.906 local terms energy: -591.402346 where: bonds (distance) C4'-P energy: -143.513 bonds (distance) P-C4' energy: -144.760 flat angles C4'-P-C4' energy: -145.141 flat angles P-C4'-P energy: -88.231 tors. eta vs tors. theta energy: -69.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1328.885371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.885371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.885371 (E_RNA) where: Base-Base interactions energy: -762.687 where: short stacking energy: -352.650 Base-Backbone interact. energy: -0.118 local terms energy: -566.079745 where: bonds (distance) C4'-P energy: -145.415 bonds (distance) P-C4' energy: -157.282 flat angles C4'-P-C4' energy: -132.475 flat angles P-C4'-P energy: -83.336 tors. eta vs tors. theta energy: -47.572 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: 8 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -786.036753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.036753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.036753 (E_RNA) where: Base-Base interactions energy: -364.888 where: short stacking energy: -207.417 Base-Backbone interact. energy: 1.557 local terms energy: -422.705088 where: bonds (distance) C4'-P energy: -138.987 bonds (distance) P-C4' energy: -144.878 flat angles C4'-P-C4' energy: -115.608 flat angles P-C4'-P energy: -45.738 tors. eta vs tors. theta energy: 22.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -741.124081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.124081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.124081 (E_RNA) where: Base-Base interactions energy: -330.589 where: short stacking energy: -214.573 Base-Backbone interact. energy: 0.482 local terms energy: -411.016974 where: bonds (distance) C4'-P energy: -135.383 bonds (distance) P-C4' energy: -131.164 flat angles C4'-P-C4' energy: -110.466 flat angles P-C4'-P energy: -59.238 tors. eta vs tors. theta energy: 25.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2647.404001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.404001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.404001 (E_RNA) where: Base-Base interactions energy: -1792.123 where: short stacking energy: -790.528 Base-Backbone interact. energy: -4.026 local terms energy: -851.254353 where: bonds (distance) C4'-P energy: -152.483 bonds (distance) P-C4' energy: -164.520 flat angles C4'-P-C4' energy: -179.341 flat angles P-C4'-P energy: -123.260 tors. eta vs tors. theta energy: -231.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2498.469007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.469007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.469007 (E_RNA) where: Base-Base interactions energy: -1696.489 where: short stacking energy: -728.344 Base-Backbone interact. energy: 3.838 local terms energy: -805.817658 where: bonds (distance) C4'-P energy: -143.909 bonds (distance) P-C4' energy: -170.748 flat angles C4'-P-C4' energy: -164.563 flat angles P-C4'-P energy: -127.184 tors. eta vs tors. theta energy: -199.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2334.811896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.811896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.811896 (E_RNA) where: Base-Base interactions energy: -1546.405 where: short stacking energy: -692.086 Base-Backbone interact. energy: -3.812 local terms energy: -784.595425 where: bonds (distance) C4'-P energy: -147.685 bonds (distance) P-C4' energy: -159.584 flat angles C4'-P-C4' energy: -173.322 flat angles P-C4'-P energy: -120.457 tors. eta vs tors. theta energy: -183.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2148.299372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.299372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.299372 (E_RNA) where: Base-Base interactions energy: -1423.690 where: short stacking energy: -616.673 Base-Backbone interact. energy: -3.036 local terms energy: -721.573435 where: bonds (distance) C4'-P energy: -148.772 bonds (distance) P-C4' energy: -157.800 flat angles C4'-P-C4' energy: -146.715 flat angles P-C4'-P energy: -100.685 tors. eta vs tors. theta energy: -167.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2057.844834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.844834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.844834 (E_RNA) where: Base-Base interactions energy: -1314.123 where: short stacking energy: -611.869 Base-Backbone interact. energy: -2.449 local terms energy: -741.272893 where: bonds (distance) C4'-P energy: -159.995 bonds (distance) P-C4' energy: -160.696 flat angles C4'-P-C4' energy: -151.901 flat angles P-C4'-P energy: -104.952 tors. eta vs tors. theta energy: -163.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1757.386218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.386218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.386218 (E_RNA) where: Base-Base interactions energy: -1125.691 where: short stacking energy: -534.885 Base-Backbone interact. energy: 2.838 local terms energy: -634.533129 where: bonds (distance) C4'-P energy: -137.857 bonds (distance) P-C4' energy: -121.326 flat angles C4'-P-C4' energy: -150.304 flat angles P-C4'-P energy: -91.993 tors. eta vs tors. theta energy: -133.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1391.215916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.215916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.215916 (E_RNA) where: Base-Base interactions energy: -840.094 where: short stacking energy: -401.493 Base-Backbone interact. energy: 4.164 local terms energy: -555.285735 where: bonds (distance) C4'-P energy: -138.470 bonds (distance) P-C4' energy: -154.048 flat angles C4'-P-C4' energy: -117.295 flat angles P-C4'-P energy: -80.889 tors. eta vs tors. theta energy: -64.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1362.271603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.271603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.271603 (E_RNA) where: Base-Base interactions energy: -801.222 where: short stacking energy: -390.620 Base-Backbone interact. energy: 0.873 local terms energy: -561.922460 where: bonds (distance) C4'-P energy: -127.788 bonds (distance) P-C4' energy: -138.594 flat angles C4'-P-C4' energy: -133.950 flat angles P-C4'-P energy: -89.829 tors. eta vs tors. theta energy: -71.762 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: 8 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -823.817433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.817433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.817433 (E_RNA) where: Base-Base interactions energy: -370.076 where: short stacking energy: -260.932 Base-Backbone interact. energy: 8.753 local terms energy: -462.495051 where: bonds (distance) C4'-P energy: -120.584 bonds (distance) P-C4' energy: -146.489 flat angles C4'-P-C4' energy: -119.113 flat angles P-C4'-P energy: -83.823 tors. eta vs tors. theta energy: 7.514 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: 7 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -774.400833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.400833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.400833 (E_RNA) where: Base-Base interactions energy: -336.995 where: short stacking energy: -225.075 Base-Backbone interact. energy: 3.320 local terms energy: -440.725548 where: bonds (distance) C4'-P energy: -113.016 bonds (distance) P-C4' energy: -130.583 flat angles C4'-P-C4' energy: -100.270 flat angles P-C4'-P energy: -93.862 tors. eta vs tors. theta energy: -2.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2683.126143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.126143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.126143 (E_RNA) where: Base-Base interactions energy: -1802.132 where: short stacking energy: -795.714 Base-Backbone interact. energy: -2.140 local terms energy: -878.854435 where: bonds (distance) C4'-P energy: -168.534 bonds (distance) P-C4' energy: -174.466 flat angles C4'-P-C4' energy: -181.695 flat angles P-C4'-P energy: -121.091 tors. eta vs tors. theta energy: -233.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2519.789715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.789715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.789715 (E_RNA) where: Base-Base interactions energy: -1670.955 where: short stacking energy: -727.899 Base-Backbone interact. energy: -2.109 local terms energy: -846.725725 where: bonds (distance) C4'-P energy: -178.864 bonds (distance) P-C4' energy: -168.873 flat angles C4'-P-C4' energy: -188.240 flat angles P-C4'-P energy: -100.554 tors. eta vs tors. theta energy: -210.195 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: 1 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2253.411870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.411870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.411870 (E_RNA) where: Base-Base interactions energy: -1507.027 where: short stacking energy: -677.515 Base-Backbone interact. energy: -2.943 local terms energy: -743.441215 where: bonds (distance) C4'-P energy: -142.203 bonds (distance) P-C4' energy: -148.334 flat angles C4'-P-C4' energy: -161.397 flat angles P-C4'-P energy: -110.250 tors. eta vs tors. theta energy: -181.258 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: 9 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2180.291492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.291492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.291492 (E_RNA) where: Base-Base interactions energy: -1414.263 where: short stacking energy: -617.706 Base-Backbone interact. energy: 2.679 local terms energy: -768.707805 where: bonds (distance) C4'-P energy: -160.925 bonds (distance) P-C4' energy: -147.000 flat angles C4'-P-C4' energy: -175.925 flat angles P-C4'-P energy: -116.523 tors. eta vs tors. theta energy: -168.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2075.586670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.586670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.586670 (E_RNA) where: Base-Base interactions energy: -1355.562 where: short stacking energy: -635.904 Base-Backbone interact. energy: -2.102 local terms energy: -717.922512 where: bonds (distance) C4'-P energy: -135.737 bonds (distance) P-C4' energy: -160.902 flat angles C4'-P-C4' energy: -162.025 flat angles P-C4'-P energy: -95.607 tors. eta vs tors. theta energy: -163.652 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: 2 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1806.156225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.156225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.156225 (E_RNA) where: Base-Base interactions energy: -1154.608 where: short stacking energy: -533.576 Base-Backbone interact. energy: -3.523 local terms energy: -648.025481 where: bonds (distance) C4'-P energy: -144.228 bonds (distance) P-C4' energy: -143.934 flat angles C4'-P-C4' energy: -157.632 flat angles P-C4'-P energy: -72.503 tors. eta vs tors. theta energy: -129.729 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: 4 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1409.153853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.153853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.153853 (E_RNA) where: Base-Base interactions energy: -795.305 where: short stacking energy: -384.204 Base-Backbone interact. energy: -0.282 local terms energy: -613.566869 where: bonds (distance) C4'-P energy: -151.771 bonds (distance) P-C4' energy: -160.545 flat angles C4'-P-C4' energy: -160.957 flat angles P-C4'-P energy: -100.481 tors. eta vs tors. theta energy: -39.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1271.486962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.486962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.486962 (E_RNA) where: Base-Base interactions energy: -739.445 where: short stacking energy: -338.075 Base-Backbone interact. energy: 0.818 local terms energy: -532.859484 where: bonds (distance) C4'-P energy: -126.307 bonds (distance) P-C4' energy: -125.402 flat angles C4'-P-C4' energy: -137.524 flat angles P-C4'-P energy: -84.905 tors. eta vs tors. theta energy: -58.722 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: 8 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -843.190388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.190388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.190388 (E_RNA) where: Base-Base interactions energy: -424.448 where: short stacking energy: -236.832 Base-Backbone interact. energy: 7.989 local terms energy: -426.731456 where: bonds (distance) C4'-P energy: -104.928 bonds (distance) P-C4' energy: -149.707 flat angles C4'-P-C4' energy: -131.170 flat angles P-C4'-P energy: -59.593 tors. eta vs tors. theta energy: 18.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -776.885778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.885778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.885778 (E_RNA) where: Base-Base interactions energy: -349.328 where: short stacking energy: -242.717 Base-Backbone interact. energy: -1.817 local terms energy: -425.740958 where: bonds (distance) C4'-P energy: -125.135 bonds (distance) P-C4' energy: -145.630 flat angles C4'-P-C4' energy: -112.501 flat angles P-C4'-P energy: -46.960 tors. eta vs tors. theta energy: 4.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2625.898080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.898080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.898080 (E_RNA) where: Base-Base interactions energy: -1793.890 where: short stacking energy: -798.914 Base-Backbone interact. energy: -3.430 local terms energy: -828.578002 where: bonds (distance) C4'-P energy: -155.454 bonds (distance) P-C4' energy: -168.679 flat angles C4'-P-C4' energy: -172.928 flat angles P-C4'-P energy: -109.199 tors. eta vs tors. theta energy: -222.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2541.101607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.101607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.101607 (E_RNA) where: Base-Base interactions energy: -1738.527 where: short stacking energy: -729.948 Base-Backbone interact. energy: -4.634 local terms energy: -797.940429 where: bonds (distance) C4'-P energy: -136.277 bonds (distance) P-C4' energy: -166.264 flat angles C4'-P-C4' energy: -178.961 flat angles P-C4'-P energy: -107.103 tors. eta vs tors. theta energy: -209.336 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: 1 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2284.268139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.268139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.268139 (E_RNA) where: Base-Base interactions energy: -1513.531 where: short stacking energy: -695.872 Base-Backbone interact. energy: -3.033 local terms energy: -767.703677 where: bonds (distance) C4'-P energy: -130.427 bonds (distance) P-C4' energy: -161.789 flat angles C4'-P-C4' energy: -166.860 flat angles P-C4'-P energy: -109.970 tors. eta vs tors. theta energy: -198.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2226.804810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.804810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.804810 (E_RNA) where: Base-Base interactions energy: -1483.641 where: short stacking energy: -673.294 Base-Backbone interact. energy: -0.553 local terms energy: -742.611042 where: bonds (distance) C4'-P energy: -138.257 bonds (distance) P-C4' energy: -149.446 flat angles C4'-P-C4' energy: -153.114 flat angles P-C4'-P energy: -102.379 tors. eta vs tors. theta energy: -199.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2093.254242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.254242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.254242 (E_RNA) where: Base-Base interactions energy: -1404.269 where: short stacking energy: -615.811 Base-Backbone interact. energy: -0.675 local terms energy: -688.310421 where: bonds (distance) C4'-P energy: -141.206 bonds (distance) P-C4' energy: -135.980 flat angles C4'-P-C4' energy: -157.885 flat angles P-C4'-P energy: -102.560 tors. eta vs tors. theta energy: -150.679 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: 2 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1785.752580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.752580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.752580 (E_RNA) where: Base-Base interactions energy: -1138.829 where: short stacking energy: -551.007 Base-Backbone interact. energy: -3.374 local terms energy: -643.549298 where: bonds (distance) C4'-P energy: -118.811 bonds (distance) P-C4' energy: -140.231 flat angles C4'-P-C4' energy: -153.660 flat angles P-C4'-P energy: -102.167 tors. eta vs tors. theta energy: -128.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1425.123103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.123103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.123103 (E_RNA) where: Base-Base interactions energy: -863.835 where: short stacking energy: -405.119 Base-Backbone interact. energy: -1.764 local terms energy: -559.524012 where: bonds (distance) C4'-P energy: -125.362 bonds (distance) P-C4' energy: -150.569 flat angles C4'-P-C4' energy: -120.176 flat angles P-C4'-P energy: -91.288 tors. eta vs tors. theta energy: -72.129 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: 10 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1183.772357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.772357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.772357 (E_RNA) where: Base-Base interactions energy: -641.942 where: short stacking energy: -314.667 Base-Backbone interact. energy: 0.017 local terms energy: -541.847093 where: bonds (distance) C4'-P energy: -133.690 bonds (distance) P-C4' energy: -146.055 flat angles C4'-P-C4' energy: -141.012 flat angles P-C4'-P energy: -89.158 tors. eta vs tors. theta energy: -31.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -805.779880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.779880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.779880 (E_RNA) where: Base-Base interactions energy: -378.393 where: short stacking energy: -219.055 Base-Backbone interact. energy: 4.823 local terms energy: -432.209570 where: bonds (distance) C4'-P energy: -137.938 bonds (distance) P-C4' energy: -121.542 flat angles C4'-P-C4' energy: -109.392 flat angles P-C4'-P energy: -86.085 tors. eta vs tors. theta energy: 22.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -681.785634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.785634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.785634 (E_RNA) where: Base-Base interactions energy: -296.317 where: short stacking energy: -209.170 Base-Backbone interact. energy: 3.152 local terms energy: -388.620231 where: bonds (distance) C4'-P energy: -92.536 bonds (distance) P-C4' energy: -133.062 flat angles C4'-P-C4' energy: -128.335 flat angles P-C4'-P energy: -64.230 tors. eta vs tors. theta energy: 29.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2651.650152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.650152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.650152 (E_RNA) where: Base-Base interactions energy: -1804.243 where: short stacking energy: -757.209 Base-Backbone interact. energy: -3.279 local terms energy: -844.127607 where: bonds (distance) C4'-P energy: -166.474 bonds (distance) P-C4' energy: -161.135 flat angles C4'-P-C4' energy: -168.714 flat angles P-C4'-P energy: -121.231 tors. eta vs tors. theta energy: -226.573 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: 2, replica: 6 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2476.172297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.172297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.172297 (E_RNA) where: Base-Base interactions energy: -1692.496 where: short stacking energy: -737.201 Base-Backbone interact. energy: 0.576 local terms energy: -784.251683 where: bonds (distance) C4'-P energy: -145.833 bonds (distance) P-C4' energy: -151.423 flat angles C4'-P-C4' energy: -173.626 flat angles P-C4'-P energy: -112.644 tors. eta vs tors. theta energy: -200.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2324.545745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.545745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.545745 (E_RNA) where: Base-Base interactions energy: -1519.906 where: short stacking energy: -726.392 Base-Backbone interact. energy: -0.916 local terms energy: -803.723936 where: bonds (distance) C4'-P energy: -143.056 bonds (distance) P-C4' energy: -168.167 flat angles C4'-P-C4' energy: -177.586 flat angles P-C4'-P energy: -107.769 tors. eta vs tors. theta energy: -207.146 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: 4, replica: 9 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2232.253856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.253856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.253856 (E_RNA) where: Base-Base interactions energy: -1476.254 where: short stacking energy: -670.440 Base-Backbone interact. energy: -0.679 local terms energy: -755.320570 where: bonds (distance) C4'-P energy: -140.125 bonds (distance) P-C4' energy: -157.270 flat angles C4'-P-C4' energy: -160.669 flat angles P-C4'-P energy: -104.474 tors. eta vs tors. theta energy: -192.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2097.081384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.081384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.081384 (E_RNA) where: Base-Base interactions energy: -1400.547 where: short stacking energy: -621.168 Base-Backbone interact. energy: -3.513 local terms energy: -693.021937 where: bonds (distance) C4'-P energy: -117.403 bonds (distance) P-C4' energy: -147.517 flat angles C4'-P-C4' energy: -180.407 flat angles P-C4'-P energy: -97.701 tors. eta vs tors. theta energy: -149.994 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: 2 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1836.637678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.637678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.637678 (E_RNA) where: Base-Base interactions energy: -1198.646 where: short stacking energy: -560.927 Base-Backbone interact. energy: 0.987 local terms energy: -638.978640 where: bonds (distance) C4'-P energy: -139.193 bonds (distance) P-C4' energy: -130.362 flat angles C4'-P-C4' energy: -164.191 flat angles P-C4'-P energy: -80.844 tors. eta vs tors. theta energy: -124.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1460.736360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.736360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.736360 (E_RNA) where: Base-Base interactions energy: -862.625 where: short stacking energy: -433.129 Base-Backbone interact. energy: -1.671 local terms energy: -596.440115 where: bonds (distance) C4'-P energy: -135.280 bonds (distance) P-C4' energy: -122.226 flat angles C4'-P-C4' energy: -140.251 flat angles P-C4'-P energy: -100.278 tors. eta vs tors. theta energy: -98.405 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: 10 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1135.906645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.906645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.906645 (E_RNA) where: Base-Base interactions energy: -631.168 where: short stacking energy: -335.332 Base-Backbone interact. energy: 1.083 local terms energy: -505.821384 where: bonds (distance) C4'-P energy: -133.014 bonds (distance) P-C4' energy: -127.715 flat angles C4'-P-C4' energy: -119.972 flat angles P-C4'-P energy: -79.999 tors. eta vs tors. theta energy: -45.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -824.521634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.521634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.521634 (E_RNA) where: Base-Base interactions energy: -385.494 where: short stacking energy: -240.899 Base-Backbone interact. energy: -2.496 local terms energy: -436.531733 where: bonds (distance) C4'-P energy: -136.531 bonds (distance) P-C4' energy: -123.603 flat angles C4'-P-C4' energy: -130.386 flat angles P-C4'-P energy: -65.991 tors. eta vs tors. theta energy: 19.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -707.050047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.050047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.050047 (E_RNA) where: Base-Base interactions energy: -311.718 where: short stacking energy: -236.013 Base-Backbone interact. energy: 1.923 local terms energy: -397.255267 where: bonds (distance) C4'-P energy: -95.637 bonds (distance) P-C4' energy: -130.324 flat angles C4'-P-C4' energy: -127.508 flat angles P-C4'-P energy: -53.218 tors. eta vs tors. theta energy: 9.432 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: 1, replica: 3 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2677.568859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.568859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.568859 (E_RNA) where: Base-Base interactions energy: -1810.682 where: short stacking energy: -764.117 Base-Backbone interact. energy: 2.795 local terms energy: -869.681849 where: bonds (distance) C4'-P energy: -174.257 bonds (distance) P-C4' energy: -158.959 flat angles C4'-P-C4' energy: -191.757 flat angles P-C4'-P energy: -126.510 tors. eta vs tors. theta energy: -218.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2455.824713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.824713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.824713 (E_RNA) where: Base-Base interactions energy: -1643.897 where: short stacking energy: -724.066 Base-Backbone interact. energy: -1.712 local terms energy: -810.216095 where: bonds (distance) C4'-P energy: -152.071 bonds (distance) P-C4' energy: -160.705 flat angles C4'-P-C4' energy: -177.616 flat angles P-C4'-P energy: -119.806 tors. eta vs tors. theta energy: -200.018 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: 1 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2353.557688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.557688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.557688 (E_RNA) where: Base-Base interactions energy: -1557.096 where: short stacking energy: -754.932 Base-Backbone interact. energy: -0.109 local terms energy: -796.352836 where: bonds (distance) C4'-P energy: -127.749 bonds (distance) P-C4' energy: -160.701 flat angles C4'-P-C4' energy: -175.887 flat angles P-C4'-P energy: -119.669 tors. eta vs tors. theta energy: -212.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2232.802968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.802968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.802968 (E_RNA) where: Base-Base interactions energy: -1503.652 where: short stacking energy: -660.790 Base-Backbone interact. energy: -4.070 local terms energy: -725.080889 where: bonds (distance) C4'-P energy: -144.820 bonds (distance) P-C4' energy: -160.595 flat angles C4'-P-C4' energy: -159.926 flat angles P-C4'-P energy: -93.868 tors. eta vs tors. theta energy: -165.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2113.749929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.749929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.749929 (E_RNA) where: Base-Base interactions energy: -1403.488 where: short stacking energy: -622.749 Base-Backbone interact. energy: -3.537 local terms energy: -706.724568 where: bonds (distance) C4'-P energy: -134.474 bonds (distance) P-C4' energy: -151.641 flat angles C4'-P-C4' energy: -162.338 flat angles P-C4'-P energy: -92.640 tors. eta vs tors. theta energy: -165.631 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: 2 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1769.762693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.762693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.762693 (E_RNA) where: Base-Base interactions energy: -1103.420 where: short stacking energy: -550.988 Base-Backbone interact. energy: -2.013 local terms energy: -664.330023 where: bonds (distance) C4'-P energy: -135.589 bonds (distance) P-C4' energy: -143.371 flat angles C4'-P-C4' energy: -157.864 flat angles P-C4'-P energy: -117.873 tors. eta vs tors. theta energy: -109.633 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: 4 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1449.446497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.446497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.446497 (E_RNA) where: Base-Base interactions energy: -887.321 where: short stacking energy: -424.645 Base-Backbone interact. energy: 1.202 local terms energy: -563.327817 where: bonds (distance) C4'-P energy: -143.385 bonds (distance) P-C4' energy: -127.375 flat angles C4'-P-C4' energy: -122.854 flat angles P-C4'-P energy: -80.961 tors. eta vs tors. theta energy: -88.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1072.478283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.478283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.478283 (E_RNA) where: Base-Base interactions energy: -585.143 where: short stacking energy: -319.623 Base-Backbone interact. energy: 4.578 local terms energy: -491.913753 where: bonds (distance) C4'-P energy: -123.788 bonds (distance) P-C4' energy: -120.434 flat angles C4'-P-C4' energy: -140.813 flat angles P-C4'-P energy: -73.188 tors. eta vs tors. theta energy: -33.690 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: 8 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -809.462159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.462159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.462159 (E_RNA) where: Base-Base interactions energy: -358.366 where: short stacking energy: -230.581 Base-Backbone interact. energy: -3.693 local terms energy: -447.403252 where: bonds (distance) C4'-P energy: -132.448 bonds (distance) P-C4' energy: -146.844 flat angles C4'-P-C4' energy: -111.421 flat angles P-C4'-P energy: -58.106 tors. eta vs tors. theta energy: 1.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -699.045050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.045050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.045050 (E_RNA) where: Base-Base interactions energy: -309.118 where: short stacking energy: -212.498 Base-Backbone interact. energy: -1.551 local terms energy: -388.376478 where: bonds (distance) C4'-P energy: -119.112 bonds (distance) P-C4' energy: -114.613 flat angles C4'-P-C4' energy: -129.265 flat angles P-C4'-P energy: -55.729 tors. eta vs tors. theta energy: 30.344 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: 1, replica: 3 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2652.956594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.956594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.956594 (E_RNA) where: Base-Base interactions energy: -1818.433 where: short stacking energy: -780.460 Base-Backbone interact. energy: -2.502 local terms energy: -832.022485 where: bonds (distance) C4'-P energy: -164.863 bonds (distance) P-C4' energy: -150.897 flat angles C4'-P-C4' energy: -172.884 flat angles P-C4'-P energy: -127.146 tors. eta vs tors. theta energy: -216.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2506.838643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.838643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.838643 (E_RNA) where: Base-Base interactions energy: -1686.764 where: short stacking energy: -717.650 Base-Backbone interact. energy: -4.676 local terms energy: -815.398612 where: bonds (distance) C4'-P energy: -151.272 bonds (distance) P-C4' energy: -164.606 flat angles C4'-P-C4' energy: -175.964 flat angles P-C4'-P energy: -111.281 tors. eta vs tors. theta energy: -212.275 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: 1 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2313.284891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.284891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.284891 (E_RNA) where: Base-Base interactions energy: -1536.450 where: short stacking energy: -657.401 Base-Backbone interact. energy: -4.219 local terms energy: -772.616319 where: bonds (distance) C4'-P energy: -166.009 bonds (distance) P-C4' energy: -150.722 flat angles C4'-P-C4' energy: -171.371 flat angles P-C4'-P energy: -107.436 tors. eta vs tors. theta energy: -177.079 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: 9 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2218.022980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.022980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.022980 (E_RNA) where: Base-Base interactions energy: -1465.700 where: short stacking energy: -664.461 Base-Backbone interact. energy: 1.054 local terms energy: -753.376152 where: bonds (distance) C4'-P energy: -158.834 bonds (distance) P-C4' energy: -145.891 flat angles C4'-P-C4' energy: -174.219 flat angles P-C4'-P energy: -103.081 tors. eta vs tors. theta energy: -171.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2115.201163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.201163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.201163 (E_RNA) where: Base-Base interactions energy: -1431.463 where: short stacking energy: -614.877 Base-Backbone interact. energy: -1.102 local terms energy: -682.635690 where: bonds (distance) C4'-P energy: -123.764 bonds (distance) P-C4' energy: -146.527 flat angles C4'-P-C4' energy: -167.366 flat angles P-C4'-P energy: -87.457 tors. eta vs tors. theta energy: -157.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1737.038649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.038649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.038649 (E_RNA) where: Base-Base interactions energy: -1108.441 where: short stacking energy: -516.786 Base-Backbone interact. energy: -0.377 local terms energy: -628.220150 where: bonds (distance) C4'-P energy: -124.904 bonds (distance) P-C4' energy: -139.897 flat angles C4'-P-C4' energy: -160.454 flat angles P-C4'-P energy: -101.854 tors. eta vs tors. theta energy: -101.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1493.735426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.735426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.735426 (E_RNA) where: Base-Base interactions energy: -897.544 where: short stacking energy: -411.223 Base-Backbone interact. energy: 1.566 local terms energy: -597.757085 where: bonds (distance) C4'-P energy: -123.459 bonds (distance) P-C4' energy: -164.574 flat angles C4'-P-C4' energy: -141.233 flat angles P-C4'-P energy: -79.230 tors. eta vs tors. theta energy: -89.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1108.439679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.439679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.439679 (E_RNA) where: Base-Base interactions energy: -608.366 where: short stacking energy: -315.727 Base-Backbone interact. energy: 1.446 local terms energy: -501.520047 where: bonds (distance) C4'-P energy: -126.691 bonds (distance) P-C4' energy: -140.493 flat angles C4'-P-C4' energy: -127.567 flat angles P-C4'-P energy: -69.014 tors. eta vs tors. theta energy: -37.755 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: 8 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -785.656389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.656389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.656389 (E_RNA) where: Base-Base interactions energy: -369.957 where: short stacking energy: -229.136 Base-Backbone interact. energy: -0.283 local terms energy: -415.416701 where: bonds (distance) C4'-P energy: -142.554 bonds (distance) P-C4' energy: -135.093 flat angles C4'-P-C4' energy: -106.502 flat angles P-C4'-P energy: -48.932 tors. eta vs tors. theta energy: 17.665 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: 7 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -682.137750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.137750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.137750 (E_RNA) where: Base-Base interactions energy: -277.060 where: short stacking energy: -213.471 Base-Backbone interact. energy: -4.961 local terms energy: -400.116382 where: bonds (distance) C4'-P energy: -118.850 bonds (distance) P-C4' energy: -134.241 flat angles C4'-P-C4' energy: -123.247 flat angles P-C4'-P energy: -43.577 tors. eta vs tors. theta energy: 19.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2703.626603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.626603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.626603 (E_RNA) where: Base-Base interactions energy: -1824.462 where: short stacking energy: -818.296 Base-Backbone interact. energy: -0.981 local terms energy: -878.184314 where: bonds (distance) C4'-P energy: -154.918 bonds (distance) P-C4' energy: -171.718 flat angles C4'-P-C4' energy: -195.941 flat angles P-C4'-P energy: -119.752 tors. eta vs tors. theta energy: -235.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2514.101588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.101588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.101588 (E_RNA) where: Base-Base interactions energy: -1698.825 where: short stacking energy: -761.931 Base-Backbone interact. energy: -5.570 local terms energy: -809.706603 where: bonds (distance) C4'-P energy: -126.455 bonds (distance) P-C4' energy: -161.543 flat angles C4'-P-C4' energy: -181.582 flat angles P-C4'-P energy: -122.243 tors. eta vs tors. theta energy: -217.883 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: 1 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2293.968054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.968054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.968054 (E_RNA) where: Base-Base interactions energy: -1515.545 where: short stacking energy: -713.709 Base-Backbone interact. energy: -5.714 local terms energy: -772.708331 where: bonds (distance) C4'-P energy: -140.395 bonds (distance) P-C4' energy: -155.467 flat angles C4'-P-C4' energy: -184.252 flat angles P-C4'-P energy: -105.717 tors. eta vs tors. theta energy: -186.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2162.304114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.304114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.304114 (E_RNA) where: Base-Base interactions energy: -1417.853 where: short stacking energy: -645.882 Base-Backbone interact. energy: 1.155 local terms energy: -745.606199 where: bonds (distance) C4'-P energy: -142.094 bonds (distance) P-C4' energy: -169.163 flat angles C4'-P-C4' energy: -160.529 flat angles P-C4'-P energy: -107.639 tors. eta vs tors. theta energy: -166.181 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: 5, replica: 5 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2097.852049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.852049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.852049 (E_RNA) where: Base-Base interactions energy: -1407.435 where: short stacking energy: -635.014 Base-Backbone interact. energy: -1.300 local terms energy: -689.117087 where: bonds (distance) C4'-P energy: -142.914 bonds (distance) P-C4' energy: -139.445 flat angles C4'-P-C4' energy: -157.004 flat angles P-C4'-P energy: -97.470 tors. eta vs tors. theta energy: -152.284 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: 2 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1779.563245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.563245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.563245 (E_RNA) where: Base-Base interactions energy: -1152.681 where: short stacking energy: -565.148 Base-Backbone interact. energy: -0.946 local terms energy: -625.937106 where: bonds (distance) C4'-P energy: -127.299 bonds (distance) P-C4' energy: -131.534 flat angles C4'-P-C4' energy: -155.560 flat angles P-C4'-P energy: -81.911 tors. eta vs tors. theta energy: -129.633 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: 4 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1496.110204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.110204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.110204 (E_RNA) where: Base-Base interactions energy: -925.860 where: short stacking energy: -441.230 Base-Backbone interact. energy: 2.752 local terms energy: -573.002289 where: bonds (distance) C4'-P energy: -129.356 bonds (distance) P-C4' energy: -133.572 flat angles C4'-P-C4' energy: -135.287 flat angles P-C4'-P energy: -83.865 tors. eta vs tors. theta energy: -90.922 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: 10 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1123.155580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.155580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.155580 (E_RNA) where: Base-Base interactions energy: -630.771 where: short stacking energy: -292.344 Base-Backbone interact. energy: 4.143 local terms energy: -496.527934 where: bonds (distance) C4'-P energy: -124.548 bonds (distance) P-C4' energy: -137.026 flat angles C4'-P-C4' energy: -139.296 flat angles P-C4'-P energy: -65.544 tors. eta vs tors. theta energy: -30.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -874.700673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.700673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.700673 (E_RNA) where: Base-Base interactions energy: -406.909 where: short stacking energy: -262.582 Base-Backbone interact. energy: -1.212 local terms energy: -466.580544 where: bonds (distance) C4'-P energy: -133.467 bonds (distance) P-C4' energy: -134.613 flat angles C4'-P-C4' energy: -128.882 flat angles P-C4'-P energy: -59.761 tors. eta vs tors. theta energy: -9.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -637.987401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.987401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.987401 (E_RNA) where: Base-Base interactions energy: -266.771 where: short stacking energy: -195.153 Base-Backbone interact. energy: 2.564 local terms energy: -373.780672 where: bonds (distance) C4'-P energy: -122.086 bonds (distance) P-C4' energy: -127.663 flat angles C4'-P-C4' energy: -99.862 flat angles P-C4'-P energy: -55.924 tors. eta vs tors. theta energy: 31.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2656.077648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.077648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.077648 (E_RNA) where: Base-Base interactions energy: -1789.677 where: short stacking energy: -793.626 Base-Backbone interact. energy: 1.253 local terms energy: -867.653103 where: bonds (distance) C4'-P energy: -166.495 bonds (distance) P-C4' energy: -168.885 flat angles C4'-P-C4' energy: -183.604 flat angles P-C4'-P energy: -120.012 tors. eta vs tors. theta energy: -228.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2508.383956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.383956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.383956 (E_RNA) where: Base-Base interactions energy: -1704.277 where: short stacking energy: -753.082 Base-Backbone interact. energy: -4.732 local terms energy: -799.374191 where: bonds (distance) C4'-P energy: -156.392 bonds (distance) P-C4' energy: -149.998 flat angles C4'-P-C4' energy: -181.253 flat angles P-C4'-P energy: -99.850 tors. eta vs tors. theta energy: -211.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2329.232867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.232867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.232867 (E_RNA) where: Base-Base interactions energy: -1519.957 where: short stacking energy: -735.065 Base-Backbone interact. energy: -1.438 local terms energy: -807.838004 where: bonds (distance) C4'-P energy: -154.584 bonds (distance) P-C4' energy: -150.046 flat angles C4'-P-C4' energy: -166.375 flat angles P-C4'-P energy: -117.790 tors. eta vs tors. theta energy: -219.043 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: 9 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2184.116851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.116851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.116851 (E_RNA) where: Base-Base interactions energy: -1460.094 where: short stacking energy: -661.612 Base-Backbone interact. energy: 1.563 local terms energy: -725.585885 where: bonds (distance) C4'-P energy: -134.038 bonds (distance) P-C4' energy: -156.418 flat angles C4'-P-C4' energy: -166.434 flat angles P-C4'-P energy: -103.146 tors. eta vs tors. theta energy: -165.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2020.441494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.441494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.441494 (E_RNA) where: Base-Base interactions energy: -1353.178 where: short stacking energy: -570.159 Base-Backbone interact. energy: -7.608 local terms energy: -659.656072 where: bonds (distance) C4'-P energy: -146.647 bonds (distance) P-C4' energy: -129.146 flat angles C4'-P-C4' energy: -143.377 flat angles P-C4'-P energy: -106.456 tors. eta vs tors. theta energy: -134.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1763.462995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.462995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.462995 (E_RNA) where: Base-Base interactions energy: -1078.777 where: short stacking energy: -493.521 Base-Backbone interact. energy: -0.221 local terms energy: -684.465048 where: bonds (distance) C4'-P energy: -153.326 bonds (distance) P-C4' energy: -155.921 flat angles C4'-P-C4' energy: -161.947 flat angles P-C4'-P energy: -103.999 tors. eta vs tors. theta energy: -109.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1612.480741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.480741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.480741 (E_RNA) where: Base-Base interactions energy: -1005.286 where: short stacking energy: -478.490 Base-Backbone interact. energy: 0.660 local terms energy: -607.855167 where: bonds (distance) C4'-P energy: -117.820 bonds (distance) P-C4' energy: -153.050 flat angles C4'-P-C4' energy: -130.894 flat angles P-C4'-P energy: -104.372 tors. eta vs tors. theta energy: -101.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1123.927898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.927898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.927898 (E_RNA) where: Base-Base interactions energy: -612.394 where: short stacking energy: -310.837 Base-Backbone interact. energy: 1.428 local terms energy: -512.961755 where: bonds (distance) C4'-P energy: -137.119 bonds (distance) P-C4' energy: -139.841 flat angles C4'-P-C4' energy: -135.877 flat angles P-C4'-P energy: -79.658 tors. eta vs tors. theta energy: -20.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -837.603322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.603322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.603322 (E_RNA) where: Base-Base interactions energy: -407.395 where: short stacking energy: -236.165 Base-Backbone interact. energy: 3.961 local terms energy: -434.169498 where: bonds (distance) C4'-P energy: -129.305 bonds (distance) P-C4' energy: -145.871 flat angles C4'-P-C4' energy: -111.880 flat angles P-C4'-P energy: -55.879 tors. eta vs tors. theta energy: 8.766 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: 7 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -726.321849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.321849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.321849 (E_RNA) where: Base-Base interactions energy: -326.278 where: short stacking energy: -202.592 Base-Backbone interact. energy: 10.729 local terms energy: -410.772720 where: bonds (distance) C4'-P energy: -110.052 bonds (distance) P-C4' energy: -139.114 flat angles C4'-P-C4' energy: -107.139 flat angles P-C4'-P energy: -64.027 tors. eta vs tors. theta energy: 9.559 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: 3 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2659.273977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.273977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.273977 (E_RNA) where: Base-Base interactions energy: -1835.442 where: short stacking energy: -800.663 Base-Backbone interact. energy: -3.185 local terms energy: -820.646891 where: bonds (distance) C4'-P energy: -143.027 bonds (distance) P-C4' energy: -150.000 flat angles C4'-P-C4' energy: -179.298 flat angles P-C4'-P energy: -119.127 tors. eta vs tors. theta energy: -229.195 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: 6 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2499.270636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.270636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.270636 (E_RNA) where: Base-Base interactions energy: -1681.254 where: short stacking energy: -744.609 Base-Backbone interact. energy: -0.055 local terms energy: -817.961445 where: bonds (distance) C4'-P energy: -156.553 bonds (distance) P-C4' energy: -157.801 flat angles C4'-P-C4' energy: -184.094 flat angles P-C4'-P energy: -97.721 tors. eta vs tors. theta energy: -221.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2301.500791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.500791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.500791 (E_RNA) where: Base-Base interactions energy: -1533.224 where: short stacking energy: -730.270 Base-Backbone interact. energy: 1.559 local terms energy: -769.835890 where: bonds (distance) C4'-P energy: -139.340 bonds (distance) P-C4' energy: -167.338 flat angles C4'-P-C4' energy: -167.662 flat angles P-C4'-P energy: -98.943 tors. eta vs tors. theta energy: -196.552 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: 9 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2245.293150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.293150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.293150 (E_RNA) where: Base-Base interactions energy: -1492.198 where: short stacking energy: -682.119 Base-Backbone interact. energy: 0.274 local terms energy: -753.369514 where: bonds (distance) C4'-P energy: -154.434 bonds (distance) P-C4' energy: -146.167 flat angles C4'-P-C4' energy: -160.918 flat angles P-C4'-P energy: -107.754 tors. eta vs tors. theta energy: -184.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2022.219756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.219756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.219756 (E_RNA) where: Base-Base interactions energy: -1350.260 where: short stacking energy: -599.339 Base-Backbone interact. energy: -3.463 local terms energy: -668.496486 where: bonds (distance) C4'-P energy: -126.284 bonds (distance) P-C4' energy: -151.028 flat angles C4'-P-C4' energy: -157.817 flat angles P-C4'-P energy: -96.854 tors. eta vs tors. theta energy: -136.513 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: 6, replica: 2 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1755.687266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.687266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.687266 (E_RNA) where: Base-Base interactions energy: -1133.067 where: short stacking energy: -498.327 Base-Backbone interact. energy: -5.115 local terms energy: -617.505197 where: bonds (distance) C4'-P energy: -133.577 bonds (distance) P-C4' energy: -154.896 flat angles C4'-P-C4' energy: -144.089 flat angles P-C4'-P energy: -72.335 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: 4 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1653.437819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.437819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.437819 (E_RNA) where: Base-Base interactions energy: -1020.661 where: short stacking energy: -492.282 Base-Backbone interact. energy: -3.545 local terms energy: -629.231182 where: bonds (distance) C4'-P energy: -140.289 bonds (distance) P-C4' energy: -136.778 flat angles C4'-P-C4' energy: -146.614 flat angles P-C4'-P energy: -98.214 tors. eta vs tors. theta energy: -107.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1097.339700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.339700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.339700 (E_RNA) where: Base-Base interactions energy: -601.096 where: short stacking energy: -304.175 Base-Backbone interact. energy: -1.710 local terms energy: -494.534247 where: bonds (distance) C4'-P energy: -138.497 bonds (distance) P-C4' energy: -137.648 flat angles C4'-P-C4' energy: -132.311 flat angles P-C4'-P energy: -59.521 tors. eta vs tors. theta energy: -26.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -787.607580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.607580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.607580 (E_RNA) where: Base-Base interactions energy: -361.929 where: short stacking energy: -228.702 Base-Backbone interact. energy: 3.966 local terms energy: -429.644306 where: bonds (distance) C4'-P energy: -119.138 bonds (distance) P-C4' energy: -130.577 flat angles C4'-P-C4' energy: -126.440 flat angles P-C4'-P energy: -54.564 tors. eta vs tors. theta energy: 1.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -760.293947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.293947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.293947 (E_RNA) where: Base-Base interactions energy: -331.190 where: short stacking energy: -188.959 Base-Backbone interact. energy: 9.364 local terms energy: -438.467439 where: bonds (distance) C4'-P energy: -101.702 bonds (distance) P-C4' energy: -136.847 flat angles C4'-P-C4' energy: -136.808 flat angles P-C4'-P energy: -90.352 tors. eta vs tors. theta energy: 27.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2692.251661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.251661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.251661 (E_RNA) where: Base-Base interactions energy: -1835.236 where: short stacking energy: -812.856 Base-Backbone interact. energy: 0.347 local terms energy: -857.362947 where: bonds (distance) C4'-P energy: -158.124 bonds (distance) P-C4' energy: -171.824 flat angles C4'-P-C4' energy: -181.231 flat angles P-C4'-P energy: -114.127 tors. eta vs tors. theta energy: -232.057 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: 6 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2486.098250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.098250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.098250 (E_RNA) where: Base-Base interactions energy: -1690.130 where: short stacking energy: -730.794 Base-Backbone interact. energy: -2.320 local terms energy: -793.648245 where: bonds (distance) C4'-P energy: -167.173 bonds (distance) P-C4' energy: -160.391 flat angles C4'-P-C4' energy: -164.231 flat angles P-C4'-P energy: -107.809 tors. eta vs tors. theta energy: -194.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2312.463242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.463242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.463242 (E_RNA) where: Base-Base interactions energy: -1543.956 where: short stacking energy: -709.971 Base-Backbone interact. energy: -0.662 local terms energy: -767.845741 where: bonds (distance) C4'-P energy: -148.711 bonds (distance) P-C4' energy: -145.482 flat angles C4'-P-C4' energy: -170.921 flat angles P-C4'-P energy: -109.778 tors. eta vs tors. theta energy: -192.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2261.109292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.109292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.109292 (E_RNA) where: Base-Base interactions energy: -1514.333 where: short stacking energy: -695.472 Base-Backbone interact. energy: 0.938 local terms energy: -747.714292 where: bonds (distance) C4'-P energy: -145.326 bonds (distance) P-C4' energy: -148.149 flat angles C4'-P-C4' energy: -161.967 flat angles P-C4'-P energy: -107.835 tors. eta vs tors. theta energy: -184.437 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: 5 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2062.309747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.309747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.309747 (E_RNA) where: Base-Base interactions energy: -1400.778 where: short stacking energy: -634.919 Base-Backbone interact. energy: -1.931 local terms energy: -659.600478 where: bonds (distance) C4'-P energy: -122.393 bonds (distance) P-C4' energy: -160.166 flat angles C4'-P-C4' energy: -149.515 flat angles P-C4'-P energy: -87.914 tors. eta vs tors. theta energy: -139.612 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: 2 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1782.461627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.461627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.461627 (E_RNA) where: Base-Base interactions energy: -1132.640 where: short stacking energy: -525.587 Base-Backbone interact. energy: 1.447 local terms energy: -651.268221 where: bonds (distance) C4'-P energy: -137.094 bonds (distance) P-C4' energy: -145.874 flat angles C4'-P-C4' energy: -130.955 flat angles P-C4'-P energy: -100.177 tors. eta vs tors. theta energy: -137.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1647.755189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.755189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.755189 (E_RNA) where: Base-Base interactions energy: -1035.934 where: short stacking energy: -485.949 Base-Backbone interact. energy: -2.923 local terms energy: -608.897964 where: bonds (distance) C4'-P energy: -149.169 bonds (distance) P-C4' energy: -130.876 flat angles C4'-P-C4' energy: -130.732 flat angles P-C4'-P energy: -94.596 tors. eta vs tors. theta energy: -103.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1122.206630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.206630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.206630 (E_RNA) where: Base-Base interactions energy: -630.167 where: short stacking energy: -340.845 Base-Backbone interact. energy: 0.322 local terms energy: -492.361543 where: bonds (distance) C4'-P energy: -128.709 bonds (distance) P-C4' energy: -137.768 flat angles C4'-P-C4' energy: -129.444 flat angles P-C4'-P energy: -66.147 tors. eta vs tors. theta energy: -30.294 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: 9, replica: 8 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -811.295460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.295460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.295460 (E_RNA) where: Base-Base interactions energy: -364.556 where: short stacking energy: -194.899 Base-Backbone interact. energy: -2.772 local terms energy: -443.967422 where: bonds (distance) C4'-P energy: -134.578 bonds (distance) P-C4' energy: -138.415 flat angles C4'-P-C4' energy: -119.159 flat angles P-C4'-P energy: -75.769 tors. eta vs tors. theta energy: 23.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -739.747645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.747645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.747645 (E_RNA) where: Base-Base interactions energy: -320.941 where: short stacking energy: -232.430 Base-Backbone interact. energy: 0.724 local terms energy: -419.530837 where: bonds (distance) C4'-P energy: -116.606 bonds (distance) P-C4' energy: -128.641 flat angles C4'-P-C4' energy: -116.217 flat angles P-C4'-P energy: -68.105 tors. eta vs tors. theta energy: 10.038 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: 3 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2696.349519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.349519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.349519 (E_RNA) where: Base-Base interactions energy: -1805.190 where: short stacking energy: -828.519 Base-Backbone interact. energy: -2.590 local terms energy: -888.569146 where: bonds (distance) C4'-P energy: -156.049 bonds (distance) P-C4' energy: -179.237 flat angles C4'-P-C4' energy: -185.590 flat angles P-C4'-P energy: -131.971 tors. eta vs tors. theta energy: -235.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2508.966272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.966272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.966272 (E_RNA) where: Base-Base interactions energy: -1690.395 where: short stacking energy: -727.164 Base-Backbone interact. energy: -8.205 local terms energy: -810.366279 where: bonds (distance) C4'-P energy: -157.004 bonds (distance) P-C4' energy: -162.292 flat angles C4'-P-C4' energy: -185.739 flat angles P-C4'-P energy: -109.838 tors. eta vs tors. theta energy: -195.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2305.300132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.300132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.300132 (E_RNA) where: Base-Base interactions energy: -1509.159 where: short stacking energy: -684.822 Base-Backbone interact. energy: -2.725 local terms energy: -793.415932 where: bonds (distance) C4'-P energy: -164.473 bonds (distance) P-C4' energy: -153.947 flat angles C4'-P-C4' energy: -172.563 flat angles P-C4'-P energy: -110.190 tors. eta vs tors. theta energy: -192.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2267.311225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.311225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.311225 (E_RNA) where: Base-Base interactions energy: -1508.125 where: short stacking energy: -683.157 Base-Backbone interact. energy: -0.886 local terms energy: -758.300493 where: bonds (distance) C4'-P energy: -142.292 bonds (distance) P-C4' energy: -163.946 flat angles C4'-P-C4' energy: -170.156 flat angles P-C4'-P energy: -97.720 tors. eta vs tors. theta energy: -184.186 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: 5 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2076.273372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.273372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.273372 (E_RNA) where: Base-Base interactions energy: -1365.569 where: short stacking energy: -617.708 Base-Backbone interact. energy: -0.995 local terms energy: -709.710129 where: bonds (distance) C4'-P energy: -124.276 bonds (distance) P-C4' energy: -156.158 flat angles C4'-P-C4' energy: -160.189 flat angles P-C4'-P energy: -118.525 tors. eta vs tors. theta energy: -150.562 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: 2 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1775.638958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.638958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.638958 (E_RNA) where: Base-Base interactions energy: -1160.730 where: short stacking energy: -518.563 Base-Backbone interact. energy: -1.442 local terms energy: -613.467413 where: bonds (distance) C4'-P energy: -130.948 bonds (distance) P-C4' energy: -150.065 flat angles C4'-P-C4' energy: -139.721 flat angles P-C4'-P energy: -75.859 tors. eta vs tors. theta energy: -116.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1653.183710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.183710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.183710 (E_RNA) where: Base-Base interactions energy: -1058.509 where: short stacking energy: -471.637 Base-Backbone interact. energy: 1.469 local terms energy: -596.144392 where: bonds (distance) C4'-P energy: -141.340 bonds (distance) P-C4' energy: -155.898 flat angles C4'-P-C4' energy: -131.499 flat angles P-C4'-P energy: -78.839 tors. eta vs tors. theta energy: -88.568 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: 10 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1095.382590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.382590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.382590 (E_RNA) where: Base-Base interactions energy: -587.216 where: short stacking energy: -322.348 Base-Backbone interact. energy: -1.794 local terms energy: -506.372416 where: bonds (distance) C4'-P energy: -129.916 bonds (distance) P-C4' energy: -141.636 flat angles C4'-P-C4' energy: -145.154 flat angles P-C4'-P energy: -60.980 tors. eta vs tors. theta energy: -28.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -812.336625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.336625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.336625 (E_RNA) where: Base-Base interactions energy: -392.466 where: short stacking energy: -240.833 Base-Backbone interact. energy: 2.822 local terms energy: -422.692237 where: bonds (distance) C4'-P energy: -137.779 bonds (distance) P-C4' energy: -112.015 flat angles C4'-P-C4' energy: -132.669 flat angles P-C4'-P energy: -46.685 tors. eta vs tors. theta energy: 6.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -710.422732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.422732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.422732 (E_RNA) where: Base-Base interactions energy: -287.539 where: short stacking energy: -190.277 Base-Backbone interact. energy: 1.095 local terms energy: -423.979489 where: bonds (distance) C4'-P energy: -129.135 bonds (distance) P-C4' energy: -155.271 flat angles C4'-P-C4' energy: -116.472 flat angles P-C4'-P energy: -46.874 tors. eta vs tors. theta energy: 23.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2717.644245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.644245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.644245 (E_RNA) where: Base-Base interactions energy: -1834.868 where: short stacking energy: -807.716 Base-Backbone interact. energy: 2.609 local terms energy: -885.385135 where: bonds (distance) C4'-P energy: -175.013 bonds (distance) P-C4' energy: -167.857 flat angles C4'-P-C4' energy: -190.003 flat angles P-C4'-P energy: -116.513 tors. eta vs tors. theta energy: -235.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2514.248054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.248054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.248054 (E_RNA) where: Base-Base interactions energy: -1697.124 where: short stacking energy: -735.742 Base-Backbone interact. energy: -2.917 local terms energy: -814.207391 where: bonds (distance) C4'-P energy: -149.215 bonds (distance) P-C4' energy: -170.794 flat angles C4'-P-C4' energy: -177.819 flat angles P-C4'-P energy: -119.894 tors. eta vs tors. theta energy: -196.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2325.060853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.060853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.060853 (E_RNA) where: Base-Base interactions energy: -1551.416 where: short stacking energy: -702.576 Base-Backbone interact. energy: -1.465 local terms energy: -772.180237 where: bonds (distance) C4'-P energy: -150.315 bonds (distance) P-C4' energy: -145.347 flat angles C4'-P-C4' energy: -181.865 flat angles P-C4'-P energy: -105.908 tors. eta vs tors. theta energy: -188.745 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: 9 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2203.776234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.776234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.776234 (E_RNA) where: Base-Base interactions energy: -1475.995 where: short stacking energy: -680.496 Base-Backbone interact. energy: -0.031 local terms energy: -727.749655 where: bonds (distance) C4'-P energy: -137.100 bonds (distance) P-C4' energy: -156.775 flat angles C4'-P-C4' energy: -165.662 flat angles P-C4'-P energy: -100.950 tors. eta vs tors. theta energy: -167.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2108.530710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.530710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.530710 (E_RNA) where: Base-Base interactions energy: -1378.702 where: short stacking energy: -626.470 Base-Backbone interact. energy: -2.717 local terms energy: -727.111829 where: bonds (distance) C4'-P energy: -144.965 bonds (distance) P-C4' energy: -149.319 flat angles C4'-P-C4' energy: -163.088 flat angles P-C4'-P energy: -118.936 tors. eta vs tors. theta energy: -150.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1811.694093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.694093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.694093 (E_RNA) where: Base-Base interactions energy: -1180.575 where: short stacking energy: -535.645 Base-Backbone interact. energy: 8.426 local terms energy: -639.544710 where: bonds (distance) C4'-P energy: -136.798 bonds (distance) P-C4' energy: -150.945 flat angles C4'-P-C4' energy: -146.029 flat angles P-C4'-P energy: -83.465 tors. eta vs tors. theta energy: -122.309 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: 4 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1723.235367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.235367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.235367 (E_RNA) where: Base-Base interactions energy: -1098.325 where: short stacking energy: -466.824 Base-Backbone interact. energy: -3.392 local terms energy: -621.517775 where: bonds (distance) C4'-P energy: -128.111 bonds (distance) P-C4' energy: -140.179 flat angles C4'-P-C4' energy: -148.037 flat angles P-C4'-P energy: -106.738 tors. eta vs tors. theta energy: -98.452 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: 10 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1023.688955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.688955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.688955 (E_RNA) where: Base-Base interactions energy: -543.060 where: short stacking energy: -315.027 Base-Backbone interact. energy: -4.336 local terms energy: -476.292998 where: bonds (distance) C4'-P energy: -123.674 bonds (distance) P-C4' energy: -150.059 flat angles C4'-P-C4' energy: -119.214 flat angles P-C4'-P energy: -58.226 tors. eta vs tors. theta energy: -25.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -862.545909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.545909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.545909 (E_RNA) where: Base-Base interactions energy: -428.084 where: short stacking energy: -253.954 Base-Backbone interact. energy: -1.316 local terms energy: -433.145614 where: bonds (distance) C4'-P energy: -132.379 bonds (distance) P-C4' energy: -135.325 flat angles C4'-P-C4' energy: -107.270 flat angles P-C4'-P energy: -51.901 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: 10, replica: 7 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -658.289291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.289291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.289291 (E_RNA) where: Base-Base interactions energy: -277.335 where: short stacking energy: -204.108 Base-Backbone interact. energy: -4.512 local terms energy: -376.442976 where: bonds (distance) C4'-P energy: -130.015 bonds (distance) P-C4' energy: -126.311 flat angles C4'-P-C4' energy: -98.591 flat angles P-C4'-P energy: -44.844 tors. eta vs tors. theta energy: 23.319 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: 3 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2664.266978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.266978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.266978 (E_RNA) where: Base-Base interactions energy: -1797.913 where: short stacking energy: -804.018 Base-Backbone interact. energy: -2.308 local terms energy: -864.046614 where: bonds (distance) C4'-P energy: -156.432 bonds (distance) P-C4' energy: -175.248 flat angles C4'-P-C4' energy: -174.073 flat angles P-C4'-P energy: -128.904 tors. eta vs tors. theta energy: -229.389 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: 2, replica: 6 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2525.221680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.221680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.221680 (E_RNA) where: Base-Base interactions energy: -1724.669 where: short stacking energy: -754.550 Base-Backbone interact. energy: 0.440 local terms energy: -800.992129 where: bonds (distance) C4'-P energy: -151.874 bonds (distance) P-C4' energy: -166.457 flat angles C4'-P-C4' energy: -162.505 flat angles P-C4'-P energy: -123.030 tors. eta vs tors. theta energy: -197.126 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: 1 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2333.082070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.082070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.082070 (E_RNA) where: Base-Base interactions energy: -1544.124 where: short stacking energy: -681.059 Base-Backbone interact. energy: -0.567 local terms energy: -788.391402 where: bonds (distance) C4'-P energy: -158.573 bonds (distance) P-C4' energy: -154.768 flat angles C4'-P-C4' energy: -172.722 flat angles P-C4'-P energy: -114.475 tors. eta vs tors. theta energy: -187.855 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: 9 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2163.817987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.817987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.817987 (E_RNA) where: Base-Base interactions energy: -1425.573 where: short stacking energy: -647.133 Base-Backbone interact. energy: -1.055 local terms energy: -737.189715 where: bonds (distance) C4'-P energy: -153.298 bonds (distance) P-C4' energy: -155.673 flat angles C4'-P-C4' energy: -147.218 flat angles P-C4'-P energy: -111.305 tors. eta vs tors. theta energy: -169.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2070.945752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.945752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.945752 (E_RNA) where: Base-Base interactions energy: -1345.127 where: short stacking energy: -630.295 Base-Backbone interact. energy: 0.868 local terms energy: -726.686502 where: bonds (distance) C4'-P energy: -143.875 bonds (distance) P-C4' energy: -152.858 flat angles C4'-P-C4' energy: -154.270 flat angles P-C4'-P energy: -114.299 tors. eta vs tors. theta energy: -161.385 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: 151 Temperature: 1.150000 Total energy: -1822.025977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.025977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.025977 (E_RNA) where: Base-Base interactions energy: -1203.751 where: short stacking energy: -558.732 Base-Backbone interact. energy: -1.759 local terms energy: -616.515680 where: bonds (distance) C4'-P energy: -132.281 bonds (distance) P-C4' energy: -135.954 flat angles C4'-P-C4' energy: -142.961 flat angles P-C4'-P energy: -84.644 tors. eta vs tors. theta energy: -120.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1720.076512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.076512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.076512 (E_RNA) where: Base-Base interactions energy: -1095.378 where: short stacking energy: -502.662 Base-Backbone interact. energy: 5.550 local terms energy: -630.248716 where: bonds (distance) C4'-P energy: -130.619 bonds (distance) P-C4' energy: -149.655 flat angles C4'-P-C4' energy: -148.517 flat angles P-C4'-P energy: -89.177 tors. eta vs tors. theta energy: -112.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1098.899039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.899039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.899039 (E_RNA) where: Base-Base interactions energy: -567.944 where: short stacking energy: -322.630 Base-Backbone interact. energy: -1.594 local terms energy: -529.360593 where: bonds (distance) C4'-P energy: -143.420 bonds (distance) P-C4' energy: -141.314 flat angles C4'-P-C4' energy: -120.209 flat angles P-C4'-P energy: -76.889 tors. eta vs tors. theta energy: -47.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -866.322398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.322398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.322398 (E_RNA) where: Base-Base interactions energy: -449.808 where: short stacking energy: -255.847 Base-Backbone interact. energy: -4.585 local terms energy: -411.929235 where: bonds (distance) C4'-P energy: -125.159 bonds (distance) P-C4' energy: -143.188 flat angles C4'-P-C4' energy: -110.119 flat angles P-C4'-P energy: -60.252 tors. eta vs tors. theta energy: 26.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -674.437889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.437889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.437889 (E_RNA) where: Base-Base interactions energy: -253.534 where: short stacking energy: -205.073 Base-Backbone interact. energy: 1.315 local terms energy: -422.218694 where: bonds (distance) C4'-P energy: -139.732 bonds (distance) P-C4' energy: -139.220 flat angles C4'-P-C4' energy: -102.522 flat angles P-C4'-P energy: -51.306 tors. eta vs tors. theta energy: 10.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2710.673594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.673594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.673594 (E_RNA) where: Base-Base interactions energy: -1837.343 where: short stacking energy: -810.740 Base-Backbone interact. energy: -5.094 local terms energy: -868.236429 where: bonds (distance) C4'-P energy: -162.984 bonds (distance) P-C4' energy: -161.975 flat angles C4'-P-C4' energy: -181.276 flat angles P-C4'-P energy: -129.986 tors. eta vs tors. theta energy: -232.016 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: 6 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2515.112602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.112602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.112602 (E_RNA) where: Base-Base interactions energy: -1705.570 where: short stacking energy: -739.005 Base-Backbone interact. energy: -5.094 local terms energy: -804.448725 where: bonds (distance) C4'-P energy: -172.186 bonds (distance) P-C4' energy: -162.524 flat angles C4'-P-C4' energy: -164.756 flat angles P-C4'-P energy: -105.036 tors. eta vs tors. theta energy: -199.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2378.469059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.469059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.469059 (E_RNA) where: Base-Base interactions energy: -1577.436 where: short stacking energy: -731.967 Base-Backbone interact. energy: 0.847 local terms energy: -801.880876 where: bonds (distance) C4'-P energy: -165.773 bonds (distance) P-C4' energy: -161.951 flat angles C4'-P-C4' energy: -167.675 flat angles P-C4'-P energy: -103.880 tors. eta vs tors. theta energy: -202.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2203.139773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.139773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.139773 (E_RNA) where: Base-Base interactions energy: -1436.595 where: short stacking energy: -640.259 Base-Backbone interact. energy: 0.526 local terms energy: -767.070591 where: bonds (distance) C4'-P energy: -165.819 bonds (distance) P-C4' energy: -158.555 flat angles C4'-P-C4' energy: -146.362 flat angles P-C4'-P energy: -124.350 tors. eta vs tors. theta energy: -171.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2063.498070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.498070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.498070 (E_RNA) where: Base-Base interactions energy: -1348.228 where: short stacking energy: -568.141 Base-Backbone interact. energy: 1.065 local terms energy: -716.335103 where: bonds (distance) C4'-P energy: -170.915 bonds (distance) P-C4' energy: -158.399 flat angles C4'-P-C4' energy: -156.478 flat angles P-C4'-P energy: -105.236 tors. eta vs tors. theta energy: -125.307 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: 152 Temperature: 1.150000 Total energy: -1775.765279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.765279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.765279 (E_RNA) where: Base-Base interactions energy: -1124.117 where: short stacking energy: -548.500 Base-Backbone interact. energy: -2.760 local terms energy: -648.888406 where: bonds (distance) C4'-P energy: -157.683 bonds (distance) P-C4' energy: -132.118 flat angles C4'-P-C4' energy: -159.319 flat angles P-C4'-P energy: -85.279 tors. eta vs tors. theta energy: -114.490 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: 2 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1683.685165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.685165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.685165 (E_RNA) where: Base-Base interactions energy: -1094.472 where: short stacking energy: -524.319 Base-Backbone interact. energy: -0.751 local terms energy: -588.462060 where: bonds (distance) C4'-P energy: -129.813 bonds (distance) P-C4' energy: -138.325 flat angles C4'-P-C4' energy: -135.041 flat angles P-C4'-P energy: -75.965 tors. eta vs tors. theta energy: -109.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1045.978036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.978036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.978036 (E_RNA) where: Base-Base interactions energy: -575.369 where: short stacking energy: -325.359 Base-Backbone interact. energy: 0.253 local terms energy: -470.861790 where: bonds (distance) C4'-P energy: -110.986 bonds (distance) P-C4' energy: -147.401 flat angles C4'-P-C4' energy: -119.967 flat angles P-C4'-P energy: -69.088 tors. eta vs tors. theta energy: -23.420 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: 9, replica: 8 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -858.416995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.416995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.416995 (E_RNA) where: Base-Base interactions energy: -389.597 where: short stacking energy: -203.783 Base-Backbone interact. energy: -1.992 local terms energy: -466.827895 where: bonds (distance) C4'-P energy: -130.643 bonds (distance) P-C4' energy: -140.898 flat angles C4'-P-C4' energy: -122.788 flat angles P-C4'-P energy: -86.754 tors. eta vs tors. theta energy: 14.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -680.360010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.360010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.360010 (E_RNA) where: Base-Base interactions energy: -255.528 where: short stacking energy: -188.204 Base-Backbone interact. energy: 7.578 local terms energy: -432.410147 where: bonds (distance) C4'-P energy: -145.049 bonds (distance) P-C4' energy: -142.170 flat angles C4'-P-C4' energy: -93.466 flat angles P-C4'-P energy: -78.704 tors. eta vs tors. theta energy: 26.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2678.174817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.174817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.174817 (E_RNA) where: Base-Base interactions energy: -1806.062 where: short stacking energy: -763.266 Base-Backbone interact. energy: -2.665 local terms energy: -869.447270 where: bonds (distance) C4'-P energy: -162.608 bonds (distance) P-C4' energy: -165.830 flat angles C4'-P-C4' energy: -196.829 flat angles P-C4'-P energy: -119.498 tors. eta vs tors. theta energy: -224.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2488.095112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.095112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.095112 (E_RNA) where: Base-Base interactions energy: -1670.991 where: short stacking energy: -718.517 Base-Backbone interact. energy: -6.686 local terms energy: -810.418042 where: bonds (distance) C4'-P energy: -165.108 bonds (distance) P-C4' energy: -141.797 flat angles C4'-P-C4' energy: -169.582 flat angles P-C4'-P energy: -123.357 tors. eta vs tors. theta energy: -210.574 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: 1 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2355.474303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.474303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.474303 (E_RNA) where: Base-Base interactions energy: -1584.525 where: short stacking energy: -704.763 Base-Backbone interact. energy: -2.346 local terms energy: -768.603673 where: bonds (distance) C4'-P energy: -145.193 bonds (distance) P-C4' energy: -145.354 flat angles C4'-P-C4' energy: -167.536 flat angles P-C4'-P energy: -123.826 tors. eta vs tors. theta energy: -186.695 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: 4, replica: 9 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2151.679827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.679827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.679827 (E_RNA) where: Base-Base interactions energy: -1451.352 where: short stacking energy: -656.418 Base-Backbone interact. energy: -2.524 local terms energy: -697.804090 where: bonds (distance) C4'-P energy: -131.164 bonds (distance) P-C4' energy: -142.615 flat angles C4'-P-C4' energy: -164.611 flat angles P-C4'-P energy: -94.222 tors. eta vs tors. theta energy: -165.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2086.285070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.285070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.285070 (E_RNA) where: Base-Base interactions energy: -1396.558 where: short stacking energy: -616.159 Base-Backbone interact. energy: -0.119 local terms energy: -689.607556 where: bonds (distance) C4'-P energy: -136.318 bonds (distance) P-C4' energy: -160.362 flat angles C4'-P-C4' energy: -139.634 flat angles P-C4'-P energy: -89.531 tors. eta vs tors. theta energy: -163.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1822.436677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.436677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.436677 (E_RNA) where: Base-Base interactions energy: -1170.515 where: short stacking energy: -543.850 Base-Backbone interact. energy: 3.226 local terms energy: -655.147859 where: bonds (distance) C4'-P energy: -139.306 bonds (distance) P-C4' energy: -158.293 flat angles C4'-P-C4' energy: -141.772 flat angles P-C4'-P energy: -85.563 tors. eta vs tors. theta energy: -130.214 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: 2 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1716.225929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.225929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.225929 (E_RNA) where: Base-Base interactions energy: -1082.480 where: short stacking energy: -487.771 Base-Backbone interact. energy: 0.709 local terms energy: -634.454684 where: bonds (distance) C4'-P energy: -130.312 bonds (distance) P-C4' energy: -144.224 flat angles C4'-P-C4' energy: -145.566 flat angles P-C4'-P energy: -97.589 tors. eta vs tors. theta energy: -116.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1096.031786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.031786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.031786 (E_RNA) where: Base-Base interactions energy: -624.425 where: short stacking energy: -308.183 Base-Backbone interact. energy: -1.869 local terms energy: -469.737918 where: bonds (distance) C4'-P energy: -118.345 bonds (distance) P-C4' energy: -126.211 flat angles C4'-P-C4' energy: -115.469 flat angles P-C4'-P energy: -75.360 tors. eta vs tors. theta energy: -34.354 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: 9, replica: 8 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -926.474220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.474220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.474220 (E_RNA) where: Base-Base interactions energy: -468.997 where: short stacking energy: -262.626 Base-Backbone interact. energy: -2.983 local terms energy: -454.494464 where: bonds (distance) C4'-P energy: -138.820 bonds (distance) P-C4' energy: -136.926 flat angles C4'-P-C4' energy: -128.898 flat angles P-C4'-P energy: -54.009 tors. eta vs tors. theta energy: 4.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -694.123652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.123652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.123652 (E_RNA) where: Base-Base interactions energy: -290.205 where: short stacking energy: -192.813 Base-Backbone interact. energy: 2.362 local terms energy: -406.280380 where: bonds (distance) C4'-P energy: -110.978 bonds (distance) P-C4' energy: -144.196 flat angles C4'-P-C4' energy: -104.480 flat angles P-C4'-P energy: -60.210 tors. eta vs tors. theta energy: 13.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2688.925474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.925474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.925474 (E_RNA) where: Base-Base interactions energy: -1842.658 where: short stacking energy: -796.592 Base-Backbone interact. energy: -2.814 local terms energy: -843.453482 where: bonds (distance) C4'-P energy: -143.759 bonds (distance) P-C4' energy: -160.621 flat angles C4'-P-C4' energy: -185.066 flat angles P-C4'-P energy: -122.136 tors. eta vs tors. theta energy: -231.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2531.829034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.829034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.829034 (E_RNA) where: Base-Base interactions energy: -1709.391 where: short stacking energy: -784.787 Base-Backbone interact. energy: -1.937 local terms energy: -820.501570 where: bonds (distance) C4'-P energy: -145.318 bonds (distance) P-C4' energy: -168.503 flat angles C4'-P-C4' energy: -181.897 flat angles P-C4'-P energy: -112.877 tors. eta vs tors. theta energy: -211.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2416.160116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.160116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.160116 (E_RNA) where: Base-Base interactions energy: -1593.491 where: short stacking energy: -737.902 Base-Backbone interact. energy: -0.996 local terms energy: -821.672914 where: bonds (distance) C4'-P energy: -153.042 bonds (distance) P-C4' energy: -168.999 flat angles C4'-P-C4' energy: -178.888 flat angles P-C4'-P energy: -126.744 tors. eta vs tors. theta energy: -194.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2223.954942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.954942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.954942 (E_RNA) where: Base-Base interactions energy: -1495.034 where: short stacking energy: -652.078 Base-Backbone interact. energy: -3.723 local terms energy: -725.197518 where: bonds (distance) C4'-P energy: -147.168 bonds (distance) P-C4' energy: -146.942 flat angles C4'-P-C4' energy: -169.142 flat angles P-C4'-P energy: -108.027 tors. eta vs tors. theta energy: -153.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -2099.342641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.342641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.342641 (E_RNA) where: Base-Base interactions energy: -1381.430 where: short stacking energy: -600.767 Base-Backbone interact. energy: -3.279 local terms energy: -714.633742 where: bonds (distance) C4'-P energy: -140.593 bonds (distance) P-C4' energy: -150.018 flat angles C4'-P-C4' energy: -158.920 flat angles P-C4'-P energy: -105.001 tors. eta vs tors. theta energy: -160.102 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: 4 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1877.698524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.698524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.698524 (E_RNA) where: Base-Base interactions energy: -1191.597 where: short stacking energy: -536.727 Base-Backbone interact. energy: 1.858 local terms energy: -687.959895 where: bonds (distance) C4'-P energy: -155.586 bonds (distance) P-C4' energy: -134.866 flat angles C4'-P-C4' energy: -144.272 flat angles P-C4'-P energy: -121.568 tors. eta vs tors. theta energy: -131.667 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: 2 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1642.308628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.308628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.308628 (E_RNA) where: Base-Base interactions energy: -1034.361 where: short stacking energy: -492.693 Base-Backbone interact. energy: -0.380 local terms energy: -607.567734 where: bonds (distance) C4'-P energy: -138.953 bonds (distance) P-C4' energy: -137.294 flat angles C4'-P-C4' energy: -135.056 flat angles P-C4'-P energy: -88.751 tors. eta vs tors. theta energy: -107.513 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: 10 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1172.786632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.786632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.786632 (E_RNA) where: Base-Base interactions energy: -666.425 where: short stacking energy: -363.853 Base-Backbone interact. energy: -2.962 local terms energy: -503.400236 where: bonds (distance) C4'-P energy: -123.137 bonds (distance) P-C4' energy: -135.561 flat angles C4'-P-C4' energy: -117.611 flat angles P-C4'-P energy: -80.235 tors. eta vs tors. theta energy: -46.856 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: 8 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -973.039651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.039651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.039651 (E_RNA) where: Base-Base interactions energy: -506.484 where: short stacking energy: -262.536 Base-Backbone interact. energy: -2.911 local terms energy: -463.644471 where: bonds (distance) C4'-P energy: -136.751 bonds (distance) P-C4' energy: -133.125 flat angles C4'-P-C4' energy: -128.485 flat angles P-C4'-P energy: -68.947 tors. eta vs tors. theta energy: 3.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -683.623856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.623856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.623856 (E_RNA) where: Base-Base interactions energy: -304.413 where: short stacking energy: -204.751 Base-Backbone interact. energy: 2.924 local terms energy: -382.135378 where: bonds (distance) C4'-P energy: -129.706 bonds (distance) P-C4' energy: -131.225 flat angles C4'-P-C4' energy: -93.750 flat angles P-C4'-P energy: -60.936 tors. eta vs tors. theta energy: 33.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2674.167260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.167260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.167260 (E_RNA) where: Base-Base interactions energy: -1780.383 where: short stacking energy: -788.902 Base-Backbone interact. energy: -3.195 local terms energy: -890.588910 where: bonds (distance) C4'-P energy: -158.137 bonds (distance) P-C4' energy: -182.430 flat angles C4'-P-C4' energy: -188.193 flat angles P-C4'-P energy: -132.319 tors. eta vs tors. theta energy: -229.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2490.220869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.220869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.220869 (E_RNA) where: Base-Base interactions energy: -1668.103 where: short stacking energy: -736.359 Base-Backbone interact. energy: -4.828 local terms energy: -817.289837 where: bonds (distance) C4'-P energy: -150.971 bonds (distance) P-C4' energy: -155.532 flat angles C4'-P-C4' energy: -178.827 flat angles P-C4'-P energy: -115.099 tors. eta vs tors. theta energy: -216.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2362.266577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.266577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.266577 (E_RNA) where: Base-Base interactions energy: -1570.873 where: short stacking energy: -704.392 Base-Backbone interact. energy: 0.795 local terms energy: -792.187873 where: bonds (distance) C4'-P energy: -161.164 bonds (distance) P-C4' energy: -159.474 flat angles C4'-P-C4' energy: -153.223 flat angles P-C4'-P energy: -123.459 tors. eta vs tors. theta energy: -194.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2203.235305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.235305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.235305 (E_RNA) where: Base-Base interactions energy: -1475.201 where: short stacking energy: -639.803 Base-Backbone interact. energy: -1.940 local terms energy: -726.094506 where: bonds (distance) C4'-P energy: -150.852 bonds (distance) P-C4' energy: -152.428 flat angles C4'-P-C4' energy: -153.841 flat angles P-C4'-P energy: -113.567 tors. eta vs tors. theta energy: -155.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2080.701821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.701821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.701821 (E_RNA) where: Base-Base interactions energy: -1388.709 where: short stacking energy: -604.439 Base-Backbone interact. energy: 1.670 local terms energy: -693.663169 where: bonds (distance) C4'-P energy: -156.666 bonds (distance) P-C4' energy: -131.890 flat angles C4'-P-C4' energy: -142.677 flat angles P-C4'-P energy: -119.264 tors. eta vs tors. theta energy: -143.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1872.277991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.277991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.277991 (E_RNA) where: Base-Base interactions energy: -1201.403 where: short stacking energy: -549.385 Base-Backbone interact. energy: -2.001 local terms energy: -668.873245 where: bonds (distance) C4'-P energy: -125.611 bonds (distance) P-C4' energy: -143.727 flat angles C4'-P-C4' energy: -164.294 flat angles P-C4'-P energy: -90.084 tors. eta vs tors. theta energy: -145.157 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: 2 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1580.818194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.818194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.818194 (E_RNA) where: Base-Base interactions energy: -978.430 where: short stacking energy: -474.437 Base-Backbone interact. energy: 1.029 local terms energy: -603.417742 where: bonds (distance) C4'-P energy: -135.895 bonds (distance) P-C4' energy: -134.700 flat angles C4'-P-C4' energy: -139.419 flat angles P-C4'-P energy: -82.885 tors. eta vs tors. theta energy: -110.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1162.756798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.756798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.756798 (E_RNA) where: Base-Base interactions energy: -643.241 where: short stacking energy: -327.308 Base-Backbone interact. energy: 3.289 local terms energy: -522.805268 where: bonds (distance) C4'-P energy: -130.081 bonds (distance) P-C4' energy: -152.207 flat angles C4'-P-C4' energy: -116.310 flat angles P-C4'-P energy: -84.570 tors. eta vs tors. theta energy: -39.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -968.035576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.035576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.035576 (E_RNA) where: Base-Base interactions energy: -506.169 where: short stacking energy: -290.585 Base-Backbone interact. energy: 10.534 local terms energy: -472.400487 where: bonds (distance) C4'-P energy: -123.361 bonds (distance) P-C4' energy: -131.504 flat angles C4'-P-C4' energy: -109.296 flat angles P-C4'-P energy: -91.870 tors. eta vs tors. theta energy: -16.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -674.975893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.975893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.975893 (E_RNA) where: Base-Base interactions energy: -279.576 where: short stacking energy: -197.047 Base-Backbone interact. energy: 11.309 local terms energy: -406.709351 where: bonds (distance) C4'-P energy: -123.521 bonds (distance) P-C4' energy: -140.720 flat angles C4'-P-C4' energy: -82.972 flat angles P-C4'-P energy: -72.789 tors. eta vs tors. theta energy: 13.293 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: 3 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2640.260192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.260192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.260192 (E_RNA) where: Base-Base interactions energy: -1816.092 where: short stacking energy: -798.634 Base-Backbone interact. energy: -4.116 local terms energy: -820.051846 where: bonds (distance) C4'-P energy: -142.705 bonds (distance) P-C4' energy: -145.918 flat angles C4'-P-C4' energy: -188.547 flat angles P-C4'-P energy: -122.671 tors. eta vs tors. theta energy: -220.211 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: 2, replica: 6 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2468.964597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.964597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.964597 (E_RNA) where: Base-Base interactions energy: -1658.039 where: short stacking energy: -739.491 Base-Backbone interact. energy: -4.465 local terms energy: -806.461340 where: bonds (distance) C4'-P energy: -161.004 bonds (distance) P-C4' energy: -152.008 flat angles C4'-P-C4' energy: -175.734 flat angles P-C4'-P energy: -118.716 tors. eta vs tors. theta energy: -199.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2407.036758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.036758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.036758 (E_RNA) where: Base-Base interactions energy: -1596.208 where: short stacking energy: -761.743 Base-Backbone interact. energy: -3.337 local terms energy: -807.491882 where: bonds (distance) C4'-P energy: -145.332 bonds (distance) P-C4' energy: -156.559 flat angles C4'-P-C4' energy: -172.954 flat angles P-C4'-P energy: -110.192 tors. eta vs tors. theta energy: -222.455 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: 9 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2184.149480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.149480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.149480 (E_RNA) where: Base-Base interactions energy: -1465.563 where: short stacking energy: -656.858 Base-Backbone interact. energy: -3.714 local terms energy: -714.872765 where: bonds (distance) C4'-P energy: -143.613 bonds (distance) P-C4' energy: -162.297 flat angles C4'-P-C4' energy: -150.009 flat angles P-C4'-P energy: -97.866 tors. eta vs tors. theta energy: -161.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2048.424519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.424519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.424519 (E_RNA) where: Base-Base interactions energy: -1362.521 where: short stacking energy: -587.772 Base-Backbone interact. energy: -1.586 local terms energy: -684.317417 where: bonds (distance) C4'-P energy: -150.614 bonds (distance) P-C4' energy: -139.797 flat angles C4'-P-C4' energy: -144.023 flat angles P-C4'-P energy: -104.713 tors. eta vs tors. theta energy: -145.170 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: 156 Temperature: 1.150000 Total energy: -1896.419837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.419837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.419837 (E_RNA) where: Base-Base interactions energy: -1231.946 where: short stacking energy: -573.596 Base-Backbone interact. energy: -2.480 local terms energy: -661.993815 where: bonds (distance) C4'-P energy: -136.014 bonds (distance) P-C4' energy: -140.212 flat angles C4'-P-C4' energy: -158.645 flat angles P-C4'-P energy: -88.091 tors. eta vs tors. theta energy: -139.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1544.172390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.172390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.172390 (E_RNA) where: Base-Base interactions energy: -959.803 where: short stacking energy: -436.309 Base-Backbone interact. energy: -2.225 local terms energy: -582.144610 where: bonds (distance) C4'-P energy: -135.338 bonds (distance) P-C4' energy: -156.966 flat angles C4'-P-C4' energy: -137.851 flat angles P-C4'-P energy: -68.930 tors. eta vs tors. theta energy: -83.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1186.219491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.219491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.219491 (E_RNA) where: Base-Base interactions energy: -686.503 where: short stacking energy: -327.100 Base-Backbone interact. energy: 2.706 local terms energy: -502.422888 where: bonds (distance) C4'-P energy: -125.773 bonds (distance) P-C4' energy: -152.241 flat angles C4'-P-C4' energy: -110.673 flat angles P-C4'-P energy: -81.670 tors. eta vs tors. theta energy: -32.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -950.370603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.370603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.370603 (E_RNA) where: Base-Base interactions energy: -518.069 where: short stacking energy: -274.216 Base-Backbone interact. energy: 7.183 local terms energy: -439.484428 where: bonds (distance) C4'-P energy: -137.276 bonds (distance) P-C4' energy: -123.949 flat angles C4'-P-C4' energy: -126.537 flat angles P-C4'-P energy: -58.419 tors. eta vs tors. theta energy: 6.696 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: 7 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -787.195918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.195918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.195918 (E_RNA) where: Base-Base interactions energy: -400.031 where: short stacking energy: -241.389 Base-Backbone interact. energy: 4.520 local terms energy: -391.685674 where: bonds (distance) C4'-P energy: -114.332 bonds (distance) P-C4' energy: -149.455 flat angles C4'-P-C4' energy: -109.334 flat angles P-C4'-P energy: -35.550 tors. eta vs tors. theta energy: 16.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2675.970013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.970013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.970013 (E_RNA) where: Base-Base interactions energy: -1812.567 where: short stacking energy: -808.917 Base-Backbone interact. energy: -3.249 local terms energy: -860.154033 where: bonds (distance) C4'-P energy: -149.762 bonds (distance) P-C4' energy: -160.628 flat angles C4'-P-C4' energy: -188.381 flat angles P-C4'-P energy: -122.513 tors. eta vs tors. theta energy: -238.870 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: 2, replica: 6 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2466.689747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.689747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.689747 (E_RNA) where: Base-Base interactions energy: -1660.077 where: short stacking energy: -720.563 Base-Backbone interact. energy: -0.261 local terms energy: -806.352262 where: bonds (distance) C4'-P energy: -142.097 bonds (distance) P-C4' energy: -170.397 flat angles C4'-P-C4' energy: -163.655 flat angles P-C4'-P energy: -123.610 tors. eta vs tors. theta energy: -206.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2422.514220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.514220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.514220 (E_RNA) where: Base-Base interactions energy: -1614.993 where: short stacking energy: -742.377 Base-Backbone interact. energy: -3.270 local terms energy: -804.250811 where: bonds (distance) C4'-P energy: -148.330 bonds (distance) P-C4' energy: -151.660 flat angles C4'-P-C4' energy: -171.893 flat angles P-C4'-P energy: -120.724 tors. eta vs tors. theta energy: -211.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2221.657290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.657290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.657290 (E_RNA) where: Base-Base interactions energy: -1494.660 where: short stacking energy: -653.954 Base-Backbone interact. energy: -2.997 local terms energy: -724.000244 where: bonds (distance) C4'-P energy: -141.645 bonds (distance) P-C4' energy: -159.423 flat angles C4'-P-C4' energy: -165.662 flat angles P-C4'-P energy: -94.528 tors. eta vs tors. theta energy: -162.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2082.600392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.600392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.600392 (E_RNA) where: Base-Base interactions energy: -1394.846 where: short stacking energy: -608.181 Base-Backbone interact. energy: -2.689 local terms energy: -685.065310 where: bonds (distance) C4'-P energy: -134.632 bonds (distance) P-C4' energy: -138.977 flat angles C4'-P-C4' energy: -186.226 flat angles P-C4'-P energy: -77.521 tors. eta vs tors. theta energy: -147.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1830.582185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.582185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.582185 (E_RNA) where: Base-Base interactions energy: -1183.962 where: short stacking energy: -520.225 Base-Backbone interact. energy: -0.455 local terms energy: -646.165506 where: bonds (distance) C4'-P energy: -128.839 bonds (distance) P-C4' energy: -147.209 flat angles C4'-P-C4' energy: -143.753 flat angles P-C4'-P energy: -102.773 tors. eta vs tors. theta energy: -123.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1569.317477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.317477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.317477 (E_RNA) where: Base-Base interactions energy: -998.520 where: short stacking energy: -444.827 Base-Backbone interact. energy: 0.958 local terms energy: -571.755826 where: bonds (distance) C4'-P energy: -129.574 bonds (distance) P-C4' energy: -146.973 flat angles C4'-P-C4' energy: -126.564 flat angles P-C4'-P energy: -87.592 tors. eta vs tors. theta energy: -81.053 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: 8, replica: 10 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1154.406863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.406863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.406863 (E_RNA) where: Base-Base interactions energy: -628.596 where: short stacking energy: -338.031 Base-Backbone interact. energy: -2.028 local terms energy: -523.783685 where: bonds (distance) C4'-P energy: -118.990 bonds (distance) P-C4' energy: -140.076 flat angles C4'-P-C4' energy: -133.754 flat angles P-C4'-P energy: -79.930 tors. eta vs tors. theta energy: -51.034 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: 8 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -998.038366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.038366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.038366 (E_RNA) where: Base-Base interactions energy: -497.591 where: short stacking energy: -274.628 Base-Backbone interact. energy: 1.632 local terms energy: -502.079332 where: bonds (distance) C4'-P energy: -142.377 bonds (distance) P-C4' energy: -115.075 flat angles C4'-P-C4' energy: -145.186 flat angles P-C4'-P energy: -77.734 tors. eta vs tors. theta energy: -21.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -771.133711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.133711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.133711 (E_RNA) where: Base-Base interactions energy: -379.767 where: short stacking energy: -193.000 Base-Backbone interact. energy: 0.491 local terms energy: -391.857193 where: bonds (distance) C4'-P energy: -122.620 bonds (distance) P-C4' energy: -128.983 flat angles C4'-P-C4' energy: -113.066 flat angles P-C4'-P energy: -64.642 tors. eta vs tors. theta energy: 37.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2658.713922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.713922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.713922 (E_RNA) where: Base-Base interactions energy: -1783.032 where: short stacking energy: -822.150 Base-Backbone interact. energy: -0.882 local terms energy: -874.799599 where: bonds (distance) C4'-P energy: -164.506 bonds (distance) P-C4' energy: -158.941 flat angles C4'-P-C4' energy: -189.141 flat angles P-C4'-P energy: -131.765 tors. eta vs tors. theta energy: -230.447 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: 6 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2493.883090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.883090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.883090 (E_RNA) where: Base-Base interactions energy: -1693.349 where: short stacking energy: -766.006 Base-Backbone interact. energy: -6.111 local terms energy: -794.422931 where: bonds (distance) C4'-P energy: -149.770 bonds (distance) P-C4' energy: -145.367 flat angles C4'-P-C4' energy: -169.016 flat angles P-C4'-P energy: -117.148 tors. eta vs tors. theta energy: -213.121 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: 1 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2379.230598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.230598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.230598 (E_RNA) where: Base-Base interactions energy: -1575.102 where: short stacking energy: -700.622 Base-Backbone interact. energy: -0.202 local terms energy: -803.926971 where: bonds (distance) C4'-P energy: -166.386 bonds (distance) P-C4' energy: -165.794 flat angles C4'-P-C4' energy: -170.928 flat angles P-C4'-P energy: -111.502 tors. eta vs tors. theta energy: -189.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2213.192844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.192844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.192844 (E_RNA) where: Base-Base interactions energy: -1488.305 where: short stacking energy: -648.527 Base-Backbone interact. energy: -1.498 local terms energy: -723.389040 where: bonds (distance) C4'-P energy: -152.061 bonds (distance) P-C4' energy: -134.931 flat angles C4'-P-C4' energy: -172.221 flat angles P-C4'-P energy: -100.497 tors. eta vs tors. theta energy: -163.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2147.819902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.819902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.819902 (E_RNA) where: Base-Base interactions energy: -1419.809 where: short stacking energy: -623.992 Base-Backbone interact. energy: -3.302 local terms energy: -724.709299 where: bonds (distance) C4'-P energy: -142.910 bonds (distance) P-C4' energy: -143.613 flat angles C4'-P-C4' energy: -176.290 flat angles P-C4'-P energy: -108.819 tors. eta vs tors. theta energy: -153.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1818.490143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.490143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.490143 (E_RNA) where: Base-Base interactions energy: -1177.326 where: short stacking energy: -521.481 Base-Backbone interact. energy: -1.579 local terms energy: -639.585344 where: bonds (distance) C4'-P energy: -132.360 bonds (distance) P-C4' energy: -156.817 flat angles C4'-P-C4' energy: -158.958 flat angles P-C4'-P energy: -76.366 tors. eta vs tors. theta energy: -115.083 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: 2 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1551.642319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.642319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.642319 (E_RNA) where: Base-Base interactions energy: -970.572 where: short stacking energy: -457.332 Base-Backbone interact. energy: -0.032 local terms energy: -581.038418 where: bonds (distance) C4'-P energy: -133.946 bonds (distance) P-C4' energy: -133.569 flat angles C4'-P-C4' energy: -133.293 flat angles P-C4'-P energy: -93.432 tors. eta vs tors. theta energy: -86.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1103.463687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.463687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.463687 (E_RNA) where: Base-Base interactions energy: -587.980 where: short stacking energy: -345.335 Base-Backbone interact. energy: 1.132 local terms energy: -516.616051 where: bonds (distance) C4'-P energy: -138.243 bonds (distance) P-C4' energy: -129.150 flat angles C4'-P-C4' energy: -119.002 flat angles P-C4'-P energy: -93.575 tors. eta vs tors. theta energy: -36.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -897.263093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.263093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.263093 (E_RNA) where: Base-Base interactions energy: -478.657 where: short stacking energy: -279.559 Base-Backbone interact. energy: -2.781 local terms energy: -415.824436 where: bonds (distance) C4'-P energy: -115.810 bonds (distance) P-C4' energy: -125.489 flat angles C4'-P-C4' energy: -135.144 flat angles P-C4'-P energy: -55.042 tors. eta vs tors. theta energy: 15.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -722.593309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.593309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.593309 (E_RNA) where: Base-Base interactions energy: -325.653 where: short stacking energy: -226.859 Base-Backbone interact. energy: -0.275 local terms energy: -396.665850 where: bonds (distance) C4'-P energy: -137.206 bonds (distance) P-C4' energy: -133.751 flat angles C4'-P-C4' energy: -97.100 flat angles P-C4'-P energy: -33.727 tors. eta vs tors. theta energy: 5.118 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: 3 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2638.415736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.415736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.415736 (E_RNA) where: Base-Base interactions energy: -1798.405 where: short stacking energy: -805.433 Base-Backbone interact. energy: 6.134 local terms energy: -846.144780 where: bonds (distance) C4'-P energy: -138.770 bonds (distance) P-C4' energy: -161.089 flat angles C4'-P-C4' energy: -182.225 flat angles P-C4'-P energy: -134.208 tors. eta vs tors. theta energy: -229.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2495.042015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.042015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.042015 (E_RNA) where: Base-Base interactions energy: -1678.758 where: short stacking energy: -759.705 Base-Backbone interact. energy: -5.029 local terms energy: -811.255305 where: bonds (distance) C4'-P energy: -157.578 bonds (distance) P-C4' energy: -158.336 flat angles C4'-P-C4' energy: -178.485 flat angles P-C4'-P energy: -106.494 tors. eta vs tors. theta energy: -210.362 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: 1 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2418.609248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.609248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.609248 (E_RNA) where: Base-Base interactions energy: -1618.211 where: short stacking energy: -748.072 Base-Backbone interact. energy: -0.747 local terms energy: -799.651118 where: bonds (distance) C4'-P energy: -154.070 bonds (distance) P-C4' energy: -145.370 flat angles C4'-P-C4' energy: -173.974 flat angles P-C4'-P energy: -116.650 tors. eta vs tors. theta energy: -209.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2237.117659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.117659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.117659 (E_RNA) where: Base-Base interactions energy: -1486.628 where: short stacking energy: -668.741 Base-Backbone interact. energy: -3.933 local terms energy: -746.556742 where: bonds (distance) C4'-P energy: -142.989 bonds (distance) P-C4' energy: -150.516 flat angles C4'-P-C4' energy: -171.017 flat angles P-C4'-P energy: -96.233 tors. eta vs tors. theta energy: -185.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2101.244387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.244387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.244387 (E_RNA) where: Base-Base interactions energy: -1395.684 where: short stacking energy: -621.772 Base-Backbone interact. energy: 2.120 local terms energy: -707.681001 where: bonds (distance) C4'-P energy: -146.836 bonds (distance) P-C4' energy: -129.984 flat angles C4'-P-C4' energy: -170.632 flat angles P-C4'-P energy: -108.343 tors. eta vs tors. theta energy: -151.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1817.807354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.807354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.807354 (E_RNA) where: Base-Base interactions energy: -1152.451 where: short stacking energy: -526.180 Base-Backbone interact. energy: -2.944 local terms energy: -662.412056 where: bonds (distance) C4'-P energy: -120.724 bonds (distance) P-C4' energy: -146.243 flat angles C4'-P-C4' energy: -152.139 flat angles P-C4'-P energy: -93.981 tors. eta vs tors. theta energy: -149.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1686.876999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.876999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.876999 (E_RNA) where: Base-Base interactions energy: -1038.325 where: short stacking energy: -468.071 Base-Backbone interact. energy: -2.496 local terms energy: -646.055839 where: bonds (distance) C4'-P energy: -121.963 bonds (distance) P-C4' energy: -142.237 flat angles C4'-P-C4' energy: -166.105 flat angles P-C4'-P energy: -109.243 tors. eta vs tors. theta energy: -106.508 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: 10 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1068.702838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.702838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.702838 (E_RNA) where: Base-Base interactions energy: -579.465 where: short stacking energy: -326.648 Base-Backbone interact. energy: -0.345 local terms energy: -488.892214 where: bonds (distance) C4'-P energy: -135.707 bonds (distance) P-C4' energy: -145.928 flat angles C4'-P-C4' energy: -108.953 flat angles P-C4'-P energy: -82.623 tors. eta vs tors. theta energy: -15.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -956.828844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.828844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.828844 (E_RNA) where: Base-Base interactions energy: -482.562 where: short stacking energy: -273.070 Base-Backbone interact. energy: -0.764 local terms energy: -473.502765 where: bonds (distance) C4'-P energy: -119.847 bonds (distance) P-C4' energy: -142.178 flat angles C4'-P-C4' energy: -112.019 flat angles P-C4'-P energy: -94.570 tors. eta vs tors. theta energy: -4.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -700.095369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.095369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.095369 (E_RNA) where: Base-Base interactions energy: -252.214 where: short stacking energy: -174.623 Base-Backbone interact. energy: 7.344 local terms energy: -455.225147 where: bonds (distance) C4'-P energy: -126.903 bonds (distance) P-C4' energy: -147.477 flat angles C4'-P-C4' energy: -122.464 flat angles P-C4'-P energy: -77.779 tors. eta vs tors. theta energy: 19.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2659.667307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.667307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.667307 (E_RNA) where: Base-Base interactions energy: -1786.892 where: short stacking energy: -811.704 Base-Backbone interact. energy: -1.367 local terms energy: -871.408851 where: bonds (distance) C4'-P energy: -167.113 bonds (distance) P-C4' energy: -164.760 flat angles C4'-P-C4' energy: -187.069 flat angles P-C4'-P energy: -113.244 tors. eta vs tors. theta energy: -239.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2492.565132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.565132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.565132 (E_RNA) where: Base-Base interactions energy: -1697.876 where: short stacking energy: -773.901 Base-Backbone interact. energy: -2.109 local terms energy: -792.580375 where: bonds (distance) C4'-P energy: -143.100 bonds (distance) P-C4' energy: -147.225 flat angles C4'-P-C4' energy: -183.690 flat angles P-C4'-P energy: -117.938 tors. eta vs tors. theta energy: -200.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2388.732598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.732598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.732598 (E_RNA) where: Base-Base interactions energy: -1600.294 where: short stacking energy: -733.757 Base-Backbone interact. energy: -1.682 local terms energy: -786.756728 where: bonds (distance) C4'-P energy: -157.610 bonds (distance) P-C4' energy: -159.849 flat angles C4'-P-C4' energy: -169.999 flat angles P-C4'-P energy: -108.041 tors. eta vs tors. theta energy: -191.258 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: 9 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2193.272159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.272159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.272159 (E_RNA) where: Base-Base interactions energy: -1455.036 where: short stacking energy: -648.040 Base-Backbone interact. energy: -0.606 local terms energy: -737.630336 where: bonds (distance) C4'-P energy: -143.056 bonds (distance) P-C4' energy: -147.815 flat angles C4'-P-C4' energy: -163.271 flat angles P-C4'-P energy: -118.510 tors. eta vs tors. theta energy: -164.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2096.228996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.228996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.228996 (E_RNA) where: Base-Base interactions energy: -1381.476 where: short stacking energy: -615.757 Base-Backbone interact. energy: -0.960 local terms energy: -713.793023 where: bonds (distance) C4'-P energy: -137.576 bonds (distance) P-C4' energy: -143.899 flat angles C4'-P-C4' energy: -162.565 flat angles P-C4'-P energy: -96.460 tors. eta vs tors. theta energy: -173.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1806.500938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.500938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.500938 (E_RNA) where: Base-Base interactions energy: -1136.985 where: short stacking energy: -538.322 Base-Backbone interact. energy: 2.447 local terms energy: -671.962653 where: bonds (distance) C4'-P energy: -129.863 bonds (distance) P-C4' energy: -150.289 flat angles C4'-P-C4' energy: -158.524 flat angles P-C4'-P energy: -102.922 tors. eta vs tors. theta energy: -130.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1652.047819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.047819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.047819 (E_RNA) where: Base-Base interactions energy: -1042.117 where: short stacking energy: -485.006 Base-Backbone interact. energy: 4.957 local terms energy: -614.887754 where: bonds (distance) C4'-P energy: -127.536 bonds (distance) P-C4' energy: -160.082 flat angles C4'-P-C4' energy: -135.891 flat angles P-C4'-P energy: -87.233 tors. eta vs tors. theta energy: -104.145 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: 10 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1076.778232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.778232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.778232 (E_RNA) where: Base-Base interactions energy: -595.750 where: short stacking energy: -281.449 Base-Backbone interact. energy: 4.174 local terms energy: -485.202713 where: bonds (distance) C4'-P energy: -136.410 bonds (distance) P-C4' energy: -140.857 flat angles C4'-P-C4' energy: -118.113 flat angles P-C4'-P energy: -87.306 tors. eta vs tors. theta energy: -2.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -970.777899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.777899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.777899 (E_RNA) where: Base-Base interactions energy: -494.984 where: short stacking energy: -256.893 Base-Backbone interact. energy: -6.631 local terms energy: -469.162872 where: bonds (distance) C4'-P energy: -127.429 bonds (distance) P-C4' energy: -140.634 flat angles C4'-P-C4' energy: -111.625 flat angles P-C4'-P energy: -75.962 tors. eta vs tors. theta energy: -13.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -754.260079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.260079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.260079 (E_RNA) where: Base-Base interactions energy: -352.337 where: short stacking energy: -205.682 Base-Backbone interact. energy: 2.086 local terms energy: -404.009337 where: bonds (distance) C4'-P energy: -127.654 bonds (distance) P-C4' energy: -140.116 flat angles C4'-P-C4' energy: -96.334 flat angles P-C4'-P energy: -49.976 tors. eta vs tors. theta energy: 10.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2619.327223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.327223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.327223 (E_RNA) where: Base-Base interactions energy: -1799.258 where: short stacking energy: -774.255 Base-Backbone interact. energy: -7.916 local terms energy: -812.153282 where: bonds (distance) C4'-P energy: -163.519 bonds (distance) P-C4' energy: -146.855 flat angles C4'-P-C4' energy: -173.572 flat angles P-C4'-P energy: -109.182 tors. eta vs tors. theta energy: -219.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2540.592974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.592974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.592974 (E_RNA) where: Base-Base interactions energy: -1711.285 where: short stacking energy: -759.559 Base-Backbone interact. energy: -0.968 local terms energy: -828.340215 where: bonds (distance) C4'-P energy: -168.597 bonds (distance) P-C4' energy: -158.701 flat angles C4'-P-C4' energy: -174.502 flat angles P-C4'-P energy: -106.038 tors. eta vs tors. theta energy: -220.503 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: 1 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2401.470510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.470510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.470510 (E_RNA) where: Base-Base interactions energy: -1590.316 where: short stacking energy: -725.431 Base-Backbone interact. energy: -2.371 local terms energy: -808.783176 where: bonds (distance) C4'-P energy: -154.988 bonds (distance) P-C4' energy: -167.746 flat angles C4'-P-C4' energy: -164.936 flat angles P-C4'-P energy: -117.938 tors. eta vs tors. theta energy: -203.176 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: 4, replica: 9 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2264.639766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.639766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.639766 (E_RNA) where: Base-Base interactions energy: -1562.154 where: short stacking energy: -677.092 Base-Backbone interact. energy: -2.833 local terms energy: -699.653680 where: bonds (distance) C4'-P energy: -126.948 bonds (distance) P-C4' energy: -150.712 flat angles C4'-P-C4' energy: -156.383 flat angles P-C4'-P energy: -93.635 tors. eta vs tors. theta energy: -171.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2126.371934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.371934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.371934 (E_RNA) where: Base-Base interactions energy: -1403.767 where: short stacking energy: -637.248 Base-Backbone interact. energy: 1.193 local terms energy: -723.797142 where: bonds (distance) C4'-P energy: -145.312 bonds (distance) P-C4' energy: -145.102 flat angles C4'-P-C4' energy: -146.980 flat angles P-C4'-P energy: -116.332 tors. eta vs tors. theta energy: -170.072 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: 6, replica: 4 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1795.655293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.655293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.655293 (E_RNA) where: Base-Base interactions energy: -1135.159 where: short stacking energy: -511.187 Base-Backbone interact. energy: -2.756 local terms energy: -657.740575 where: bonds (distance) C4'-P energy: -153.035 bonds (distance) P-C4' energy: -140.652 flat angles C4'-P-C4' energy: -163.337 flat angles P-C4'-P energy: -90.360 tors. eta vs tors. theta energy: -110.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1672.525980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.525980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.525980 (E_RNA) where: Base-Base interactions energy: -1069.110 where: short stacking energy: -499.722 Base-Backbone interact. energy: 5.469 local terms energy: -608.884867 where: bonds (distance) C4'-P energy: -126.011 bonds (distance) P-C4' energy: -138.220 flat angles C4'-P-C4' energy: -129.616 flat angles P-C4'-P energy: -93.923 tors. eta vs tors. theta energy: -121.115 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: 10 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1090.725202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.725202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.725202 (E_RNA) where: Base-Base interactions energy: -619.013 where: short stacking energy: -322.605 Base-Backbone interact. energy: 5.546 local terms energy: -477.258015 where: bonds (distance) C4'-P energy: -111.777 bonds (distance) P-C4' energy: -138.441 flat angles C4'-P-C4' energy: -127.351 flat angles P-C4'-P energy: -73.722 tors. eta vs tors. theta energy: -25.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -958.888067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.888067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.888067 (E_RNA) where: Base-Base interactions energy: -512.575 where: short stacking energy: -286.502 Base-Backbone interact. energy: 2.011 local terms energy: -448.324498 where: bonds (distance) C4'-P energy: -138.564 bonds (distance) P-C4' energy: -140.576 flat angles C4'-P-C4' energy: -102.260 flat angles P-C4'-P energy: -66.852 tors. eta vs tors. theta energy: -0.072 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: 7 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -754.345629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.345629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.345629 (E_RNA) where: Base-Base interactions energy: -332.385 where: short stacking energy: -205.856 Base-Backbone interact. energy: 3.515 local terms energy: -425.476243 where: bonds (distance) C4'-P energy: -136.549 bonds (distance) P-C4' energy: -118.016 flat angles C4'-P-C4' energy: -106.853 flat angles P-C4'-P energy: -70.218 tors. eta vs tors. theta energy: 6.161 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: 1, replica: 3 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2673.678147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.678147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.678147 (E_RNA) where: Base-Base interactions energy: -1830.105 where: short stacking energy: -796.371 Base-Backbone interact. energy: -3.123 local terms energy: -840.449449 where: bonds (distance) C4'-P energy: -156.265 bonds (distance) P-C4' energy: -168.333 flat angles C4'-P-C4' energy: -186.182 flat angles P-C4'-P energy: -108.070 tors. eta vs tors. theta energy: -221.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2558.158552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.158552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.158552 (E_RNA) where: Base-Base interactions energy: -1718.134 where: short stacking energy: -788.870 Base-Backbone interact. energy: -1.552 local terms energy: -838.472353 where: bonds (distance) C4'-P energy: -149.819 bonds (distance) P-C4' energy: -160.609 flat angles C4'-P-C4' energy: -180.189 flat angles P-C4'-P energy: -117.687 tors. eta vs tors. theta energy: -230.168 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: 1 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2349.428915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.428915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.428915 (E_RNA) where: Base-Base interactions energy: -1558.006 where: short stacking energy: -699.819 Base-Backbone interact. energy: -1.977 local terms energy: -789.445791 where: bonds (distance) C4'-P energy: -157.074 bonds (distance) P-C4' energy: -156.319 flat angles C4'-P-C4' energy: -164.573 flat angles P-C4'-P energy: -108.255 tors. eta vs tors. theta energy: -203.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2246.184669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.184669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.184669 (E_RNA) where: Base-Base interactions energy: -1508.421 where: short stacking energy: -680.533 Base-Backbone interact. energy: 3.570 local terms energy: -741.333763 where: bonds (distance) C4'-P energy: -144.473 bonds (distance) P-C4' energy: -141.581 flat angles C4'-P-C4' energy: -165.914 flat angles P-C4'-P energy: -112.872 tors. eta vs tors. theta energy: -176.494 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: 5 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2105.604199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.604199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.604199 (E_RNA) where: Base-Base interactions energy: -1382.934 where: short stacking energy: -605.286 Base-Backbone interact. energy: -4.393 local terms energy: -718.277804 where: bonds (distance) C4'-P energy: -145.971 bonds (distance) P-C4' energy: -144.838 flat angles C4'-P-C4' energy: -164.035 flat angles P-C4'-P energy: -113.232 tors. eta vs tors. theta energy: -150.203 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: 4 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1883.395781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.395781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.395781 (E_RNA) where: Base-Base interactions energy: -1195.545 where: short stacking energy: -527.420 Base-Backbone interact. energy: 4.070 local terms energy: -691.920762 where: bonds (distance) C4'-P energy: -138.154 bonds (distance) P-C4' energy: -156.709 flat angles C4'-P-C4' energy: -150.110 flat angles P-C4'-P energy: -100.007 tors. eta vs tors. theta energy: -146.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1573.438041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.438041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.438041 (E_RNA) where: Base-Base interactions energy: -984.628 where: short stacking energy: -479.198 Base-Backbone interact. energy: -3.936 local terms energy: -584.873462 where: bonds (distance) C4'-P energy: -133.146 bonds (distance) P-C4' energy: -129.018 flat angles C4'-P-C4' energy: -150.675 flat angles P-C4'-P energy: -75.604 tors. eta vs tors. theta energy: -96.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1071.366806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.366806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.366806 (E_RNA) where: Base-Base interactions energy: -562.876 where: short stacking energy: -303.011 Base-Backbone interact. energy: -1.518 local terms energy: -506.972593 where: bonds (distance) C4'-P energy: -147.104 bonds (distance) P-C4' energy: -140.014 flat angles C4'-P-C4' energy: -109.238 flat angles P-C4'-P energy: -74.900 tors. eta vs tors. theta energy: -35.717 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: 8 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -965.928625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.928625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.928625 (E_RNA) where: Base-Base interactions energy: -472.922 where: short stacking energy: -247.908 Base-Backbone interact. energy: -2.038 local terms energy: -490.969083 where: bonds (distance) C4'-P energy: -142.822 bonds (distance) P-C4' energy: -148.875 flat angles C4'-P-C4' energy: -101.911 flat angles P-C4'-P energy: -79.134 tors. eta vs tors. theta energy: -18.227 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: 10, replica: 7 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -688.507797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.507797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.507797 (E_RNA) where: Base-Base interactions energy: -318.531 where: short stacking energy: -171.025 Base-Backbone interact. energy: 2.672 local terms energy: -372.648499 where: bonds (distance) C4'-P energy: -124.978 bonds (distance) P-C4' energy: -133.203 flat angles C4'-P-C4' energy: -89.561 flat angles P-C4'-P energy: -85.557 tors. eta vs tors. theta energy: 60.651 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: 3 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2711.947914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.947914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.947914 (E_RNA) where: Base-Base interactions energy: -1842.287 where: short stacking energy: -795.820 Base-Backbone interact. energy: 0.753 local terms energy: -870.414191 where: bonds (distance) C4'-P energy: -147.131 bonds (distance) P-C4' energy: -170.105 flat angles C4'-P-C4' energy: -189.232 flat angles P-C4'-P energy: -140.217 tors. eta vs tors. theta energy: -223.729 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: 6 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2543.268790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.268790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.268790 (E_RNA) where: Base-Base interactions energy: -1741.460 where: short stacking energy: -766.492 Base-Backbone interact. energy: 3.613 local terms energy: -805.421928 where: bonds (distance) C4'-P energy: -145.089 bonds (distance) P-C4' energy: -162.013 flat angles C4'-P-C4' energy: -180.061 flat angles P-C4'-P energy: -116.704 tors. eta vs tors. theta energy: -201.554 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: 163 Temperature: 1.000000 Total energy: -2332.762331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.762331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.762331 (E_RNA) where: Base-Base interactions energy: -1568.119 where: short stacking energy: -701.141 Base-Backbone interact. energy: 5.765 local terms energy: -770.408798 where: bonds (distance) C4'-P energy: -152.146 bonds (distance) P-C4' energy: -157.162 flat angles C4'-P-C4' energy: -175.140 flat angles P-C4'-P energy: -100.108 tors. eta vs tors. theta energy: -185.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2200.863647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.863647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.863647 (E_RNA) where: Base-Base interactions energy: -1457.510 where: short stacking energy: -660.838 Base-Backbone interact. energy: -3.121 local terms energy: -740.232143 where: bonds (distance) C4'-P energy: -138.770 bonds (distance) P-C4' energy: -150.537 flat angles C4'-P-C4' energy: -174.085 flat angles P-C4'-P energy: -105.738 tors. eta vs tors. theta energy: -171.103 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: 5 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2103.898525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.898525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.898525 (E_RNA) where: Base-Base interactions energy: -1430.666 where: short stacking energy: -641.000 Base-Backbone interact. energy: 4.946 local terms energy: -678.178268 where: bonds (distance) C4'-P energy: -125.118 bonds (distance) P-C4' energy: -155.761 flat angles C4'-P-C4' energy: -150.298 flat angles P-C4'-P energy: -85.393 tors. eta vs tors. theta energy: -161.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1893.701698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.701698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.701698 (E_RNA) where: Base-Base interactions energy: -1188.290 where: short stacking energy: -503.329 Base-Backbone interact. energy: -4.082 local terms energy: -701.329201 where: bonds (distance) C4'-P energy: -153.618 bonds (distance) P-C4' energy: -150.904 flat angles C4'-P-C4' energy: -147.906 flat angles P-C4'-P energy: -115.985 tors. eta vs tors. theta energy: -132.915 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: 2 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1587.865267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.865267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.865267 (E_RNA) where: Base-Base interactions energy: -1002.873 where: short stacking energy: -485.293 Base-Backbone interact. energy: -0.840 local terms energy: -584.153055 where: bonds (distance) C4'-P energy: -132.410 bonds (distance) P-C4' energy: -142.611 flat angles C4'-P-C4' energy: -128.257 flat angles P-C4'-P energy: -86.691 tors. eta vs tors. theta energy: -94.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1074.393903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.393903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.393903 (E_RNA) where: Base-Base interactions energy: -549.741 where: short stacking energy: -271.824 Base-Backbone interact. energy: 1.407 local terms energy: -526.059857 where: bonds (distance) C4'-P energy: -147.887 bonds (distance) P-C4' energy: -147.097 flat angles C4'-P-C4' energy: -137.766 flat angles P-C4'-P energy: -77.553 tors. eta vs tors. theta energy: -15.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1050.772293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.772293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.772293 (E_RNA) where: Base-Base interactions energy: -591.693 where: short stacking energy: -302.819 Base-Backbone interact. energy: 3.151 local terms energy: -462.229803 where: bonds (distance) C4'-P energy: -109.514 bonds (distance) P-C4' energy: -117.183 flat angles C4'-P-C4' energy: -123.479 flat angles P-C4'-P energy: -90.970 tors. eta vs tors. theta energy: -21.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -720.142891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.142891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.142891 (E_RNA) where: Base-Base interactions energy: -306.200 where: short stacking energy: -217.771 Base-Backbone interact. energy: 4.812 local terms energy: -418.754782 where: bonds (distance) C4'-P energy: -134.182 bonds (distance) P-C4' energy: -130.102 flat angles C4'-P-C4' energy: -89.579 flat angles P-C4'-P energy: -80.454 tors. eta vs tors. theta energy: 15.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2703.234989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.234989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.234989 (E_RNA) where: Base-Base interactions energy: -1857.776 where: short stacking energy: -816.420 Base-Backbone interact. energy: -0.352 local terms energy: -845.107355 where: bonds (distance) C4'-P energy: -154.593 bonds (distance) P-C4' energy: -174.532 flat angles C4'-P-C4' energy: -176.405 flat angles P-C4'-P energy: -118.808 tors. eta vs tors. theta energy: -220.769 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: 6 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2508.755362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.755362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.755362 (E_RNA) where: Base-Base interactions energy: -1710.313 where: short stacking energy: -755.282 Base-Backbone interact. energy: -2.579 local terms energy: -795.863269 where: bonds (distance) C4'-P energy: -151.869 bonds (distance) P-C4' energy: -157.593 flat angles C4'-P-C4' energy: -173.252 flat angles P-C4'-P energy: -105.820 tors. eta vs tors. theta energy: -207.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2393.624436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.624436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.624436 (E_RNA) where: Base-Base interactions energy: -1587.336 where: short stacking energy: -726.134 Base-Backbone interact. energy: -1.261 local terms energy: -805.026789 where: bonds (distance) C4'-P energy: -154.999 bonds (distance) P-C4' energy: -171.053 flat angles C4'-P-C4' energy: -173.000 flat angles P-C4'-P energy: -112.661 tors. eta vs tors. theta energy: -193.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2213.534187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.534187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.534187 (E_RNA) where: Base-Base interactions energy: -1477.246 where: short stacking energy: -628.598 Base-Backbone interact. energy: 1.108 local terms energy: -737.396276 where: bonds (distance) C4'-P energy: -164.663 bonds (distance) P-C4' energy: -139.909 flat angles C4'-P-C4' energy: -165.165 flat angles P-C4'-P energy: -98.302 tors. eta vs tors. theta energy: -169.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2073.267486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.267486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.267486 (E_RNA) where: Base-Base interactions energy: -1365.093 where: short stacking energy: -631.208 Base-Backbone interact. energy: 0.187 local terms energy: -708.361266 where: bonds (distance) C4'-P energy: -132.002 bonds (distance) P-C4' energy: -162.188 flat angles C4'-P-C4' energy: -158.738 flat angles P-C4'-P energy: -88.612 tors. eta vs tors. theta energy: -166.822 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: 6, replica: 4 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1899.392508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.392508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.392508 (E_RNA) where: Base-Base interactions energy: -1253.610 where: short stacking energy: -613.675 Base-Backbone interact. energy: -1.025 local terms energy: -644.757245 where: bonds (distance) C4'-P energy: -127.734 bonds (distance) P-C4' energy: -123.377 flat angles C4'-P-C4' energy: -161.120 flat angles P-C4'-P energy: -75.530 tors. eta vs tors. theta energy: -156.996 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: 2 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1569.756697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.756697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.756697 (E_RNA) where: Base-Base interactions energy: -979.468 where: short stacking energy: -425.030 Base-Backbone interact. energy: -1.793 local terms energy: -588.496188 where: bonds (distance) C4'-P energy: -144.912 bonds (distance) P-C4' energy: -154.364 flat angles C4'-P-C4' energy: -143.143 flat angles P-C4'-P energy: -64.604 tors. eta vs tors. theta energy: -81.473 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: 10 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1066.139047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.139047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.139047 (E_RNA) where: Base-Base interactions energy: -584.319 where: short stacking energy: -318.683 Base-Backbone interact. energy: -1.766 local terms energy: -480.053955 where: bonds (distance) C4'-P energy: -131.153 bonds (distance) P-C4' energy: -125.659 flat angles C4'-P-C4' energy: -121.336 flat angles P-C4'-P energy: -70.351 tors. eta vs tors. theta energy: -31.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1010.032600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.032600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.032600 (E_RNA) where: Base-Base interactions energy: -586.350 where: short stacking energy: -284.895 Base-Backbone interact. energy: 8.252 local terms energy: -431.934624 where: bonds (distance) C4'-P energy: -121.064 bonds (distance) P-C4' energy: -148.187 flat angles C4'-P-C4' energy: -112.885 flat angles P-C4'-P energy: -52.481 tors. eta vs tors. theta energy: 2.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -705.559930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.559930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.559930 (E_RNA) where: Base-Base interactions energy: -297.461 where: short stacking energy: -204.567 Base-Backbone interact. energy: 2.701 local terms energy: -410.800006 where: bonds (distance) C4'-P energy: -132.695 bonds (distance) P-C4' energy: -146.758 flat angles C4'-P-C4' energy: -101.096 flat angles P-C4'-P energy: -69.428 tors. eta vs tors. theta energy: 39.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2684.530092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.530092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.530092 (E_RNA) where: Base-Base interactions energy: -1833.366 where: short stacking energy: -802.840 Base-Backbone interact. energy: -3.255 local terms energy: -847.908333 where: bonds (distance) C4'-P energy: -142.853 bonds (distance) P-C4' energy: -159.881 flat angles C4'-P-C4' energy: -189.301 flat angles P-C4'-P energy: -128.720 tors. eta vs tors. theta energy: -227.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2465.749115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.749115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.749115 (E_RNA) where: Base-Base interactions energy: -1640.335 where: short stacking energy: -749.862 Base-Backbone interact. energy: -3.063 local terms energy: -822.351363 where: bonds (distance) C4'-P energy: -156.927 bonds (distance) P-C4' energy: -149.792 flat angles C4'-P-C4' energy: -177.959 flat angles P-C4'-P energy: -113.029 tors. eta vs tors. theta energy: -224.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2411.963756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.963756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.963756 (E_RNA) where: Base-Base interactions energy: -1625.603 where: short stacking energy: -721.318 Base-Backbone interact. energy: -1.207 local terms energy: -785.153728 where: bonds (distance) C4'-P energy: -146.368 bonds (distance) P-C4' energy: -162.129 flat angles C4'-P-C4' energy: -171.839 flat angles P-C4'-P energy: -106.763 tors. eta vs tors. theta energy: -198.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2151.427797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.427797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.427797 (E_RNA) where: Base-Base interactions energy: -1440.994 where: short stacking energy: -651.851 Base-Backbone interact. energy: -3.122 local terms energy: -707.312218 where: bonds (distance) C4'-P energy: -134.818 bonds (distance) P-C4' energy: -146.790 flat angles C4'-P-C4' energy: -165.897 flat angles P-C4'-P energy: -92.684 tors. eta vs tors. theta energy: -167.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2067.443769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.443769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.443769 (E_RNA) where: Base-Base interactions energy: -1354.625 where: short stacking energy: -601.632 Base-Backbone interact. energy: -2.605 local terms energy: -710.214506 where: bonds (distance) C4'-P energy: -144.860 bonds (distance) P-C4' energy: -146.524 flat angles C4'-P-C4' energy: -161.097 flat angles P-C4'-P energy: -103.418 tors. eta vs tors. theta energy: -154.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1861.366084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.366084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.366084 (E_RNA) where: Base-Base interactions energy: -1224.388 where: short stacking energy: -556.942 Base-Backbone interact. energy: -0.553 local terms energy: -636.425049 where: bonds (distance) C4'-P energy: -136.201 bonds (distance) P-C4' energy: -147.963 flat angles C4'-P-C4' energy: -141.577 flat angles P-C4'-P energy: -87.323 tors. eta vs tors. theta energy: -123.360 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: 2 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1629.132610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.132610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.132610 (E_RNA) where: Base-Base interactions energy: -1042.616 where: short stacking energy: -510.873 Base-Backbone interact. energy: -3.454 local terms energy: -583.061954 where: bonds (distance) C4'-P energy: -119.731 bonds (distance) P-C4' energy: -136.977 flat angles C4'-P-C4' energy: -146.220 flat angles P-C4'-P energy: -68.590 tors. eta vs tors. theta energy: -111.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1093.517653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.517653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.517653 (E_RNA) where: Base-Base interactions energy: -612.341 where: short stacking energy: -315.014 Base-Backbone interact. energy: -0.659 local terms energy: -480.517086 where: bonds (distance) C4'-P energy: -129.437 bonds (distance) P-C4' energy: -125.901 flat angles C4'-P-C4' energy: -123.376 flat angles P-C4'-P energy: -71.914 tors. eta vs tors. theta energy: -29.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -996.154333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.154333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.154333 (E_RNA) where: Base-Base interactions energy: -526.609 where: short stacking energy: -286.554 Base-Backbone interact. energy: 2.212 local terms energy: -471.757637 where: bonds (distance) C4'-P energy: -155.423 bonds (distance) P-C4' energy: -115.984 flat angles C4'-P-C4' energy: -128.366 flat angles P-C4'-P energy: -76.429 tors. eta vs tors. theta energy: 4.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -782.802765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.802765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.802765 (E_RNA) where: Base-Base interactions energy: -332.982 where: short stacking energy: -220.501 Base-Backbone interact. energy: 4.082 local terms energy: -453.903212 where: bonds (distance) C4'-P energy: -126.233 bonds (distance) P-C4' energy: -130.664 flat angles C4'-P-C4' energy: -110.830 flat angles P-C4'-P energy: -92.170 tors. eta vs tors. theta energy: 5.993 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: 166 Temperature: 0.900000 Total energy: -2693.829313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.829313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.829313 (E_RNA) where: Base-Base interactions energy: -1851.706 where: short stacking energy: -817.863 Base-Backbone interact. energy: -4.674 local terms energy: -837.449701 where: bonds (distance) C4'-P energy: -155.267 bonds (distance) P-C4' energy: -154.179 flat angles C4'-P-C4' energy: -184.143 flat angles P-C4'-P energy: -125.275 tors. eta vs tors. theta energy: -218.586 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: 1 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2524.351086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.351086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.351086 (E_RNA) where: Base-Base interactions energy: -1689.814 where: short stacking energy: -764.667 Base-Backbone interact. energy: -2.742 local terms energy: -831.795003 where: bonds (distance) C4'-P energy: -156.162 bonds (distance) P-C4' energy: -149.087 flat angles C4'-P-C4' energy: -181.173 flat angles P-C4'-P energy: -116.500 tors. eta vs tors. theta energy: -228.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2430.333767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.333767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.333767 (E_RNA) where: Base-Base interactions energy: -1654.279 where: short stacking energy: -703.408 Base-Backbone interact. energy: -0.886 local terms energy: -775.169028 where: bonds (distance) C4'-P energy: -146.951 bonds (distance) P-C4' energy: -159.138 flat angles C4'-P-C4' energy: -162.039 flat angles P-C4'-P energy: -103.936 tors. eta vs tors. theta energy: -203.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2195.849268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.849268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.849268 (E_RNA) where: Base-Base interactions energy: -1480.663 where: short stacking energy: -642.645 Base-Backbone interact. energy: 1.771 local terms energy: -716.957111 where: bonds (distance) C4'-P energy: -133.687 bonds (distance) P-C4' energy: -160.310 flat angles C4'-P-C4' energy: -177.382 flat angles P-C4'-P energy: -96.253 tors. eta vs tors. theta energy: -149.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2070.796990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.796990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.796990 (E_RNA) where: Base-Base interactions energy: -1380.284 where: short stacking energy: -590.002 Base-Backbone interact. energy: -5.277 local terms energy: -685.235232 where: bonds (distance) C4'-P energy: -138.362 bonds (distance) P-C4' energy: -149.573 flat angles C4'-P-C4' energy: -144.273 flat angles P-C4'-P energy: -107.795 tors. eta vs tors. theta energy: -145.232 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: 4 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1907.768954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.768954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.768954 (E_RNA) where: Base-Base interactions energy: -1264.942 where: short stacking energy: -584.919 Base-Backbone interact. energy: -4.341 local terms energy: -638.486167 where: bonds (distance) C4'-P energy: -139.167 bonds (distance) P-C4' energy: -128.016 flat angles C4'-P-C4' energy: -167.896 flat angles P-C4'-P energy: -76.107 tors. eta vs tors. theta energy: -127.300 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: 2 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1620.672434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.672434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.672434 (E_RNA) where: Base-Base interactions energy: -1033.507 where: short stacking energy: -483.515 Base-Backbone interact. energy: -2.716 local terms energy: -584.450180 where: bonds (distance) C4'-P energy: -140.362 bonds (distance) P-C4' energy: -122.039 flat angles C4'-P-C4' energy: -138.470 flat angles P-C4'-P energy: -89.121 tors. eta vs tors. theta energy: -94.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1023.598549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.598549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.598549 (E_RNA) where: Base-Base interactions energy: -582.476 where: short stacking energy: -294.477 Base-Backbone interact. energy: -2.680 local terms energy: -438.442086 where: bonds (distance) C4'-P energy: -122.066 bonds (distance) P-C4' energy: -138.129 flat angles C4'-P-C4' energy: -118.183 flat angles P-C4'-P energy: -54.427 tors. eta vs tors. theta energy: -5.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -962.394780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.394780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.394780 (E_RNA) where: Base-Base interactions energy: -513.508 where: short stacking energy: -267.969 Base-Backbone interact. energy: 1.512 local terms energy: -450.398650 where: bonds (distance) C4'-P energy: -123.647 bonds (distance) P-C4' energy: -135.390 flat angles C4'-P-C4' energy: -121.194 flat angles P-C4'-P energy: -59.279 tors. eta vs tors. theta energy: -10.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -824.383900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.383900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.383900 (E_RNA) where: Base-Base interactions energy: -410.847 where: short stacking energy: -237.485 Base-Backbone interact. energy: 5.536 local terms energy: -419.073213 where: bonds (distance) C4'-P energy: -115.792 bonds (distance) P-C4' energy: -117.012 flat angles C4'-P-C4' energy: -113.033 flat angles P-C4'-P energy: -77.632 tors. eta vs tors. theta energy: 4.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2663.703612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.703612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.703612 (E_RNA) where: Base-Base interactions energy: -1815.435 where: short stacking energy: -755.712 Base-Backbone interact. energy: -4.682 local terms energy: -843.587008 where: bonds (distance) C4'-P energy: -158.385 bonds (distance) P-C4' energy: -176.115 flat angles C4'-P-C4' energy: -177.182 flat angles P-C4'-P energy: -124.475 tors. eta vs tors. theta energy: -207.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2490.605435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.605435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.605435 (E_RNA) where: Base-Base interactions energy: -1662.441 where: short stacking energy: -753.281 Base-Backbone interact. energy: -2.627 local terms energy: -825.537623 where: bonds (distance) C4'-P energy: -159.562 bonds (distance) P-C4' energy: -157.037 flat angles C4'-P-C4' energy: -174.826 flat angles P-C4'-P energy: -112.628 tors. eta vs tors. theta energy: -221.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2434.755823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.755823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.755823 (E_RNA) where: Base-Base interactions energy: -1654.251 where: short stacking energy: -725.420 Base-Backbone interact. energy: -0.934 local terms energy: -779.570777 where: bonds (distance) C4'-P energy: -147.795 bonds (distance) P-C4' energy: -150.397 flat angles C4'-P-C4' energy: -182.802 flat angles P-C4'-P energy: -108.039 tors. eta vs tors. theta energy: -190.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2243.505859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.505859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.505859 (E_RNA) where: Base-Base interactions energy: -1467.506 where: short stacking energy: -669.298 Base-Backbone interact. energy: 2.114 local terms energy: -778.113463 where: bonds (distance) C4'-P energy: -145.688 bonds (distance) P-C4' energy: -171.397 flat angles C4'-P-C4' energy: -177.177 flat angles P-C4'-P energy: -105.319 tors. eta vs tors. theta energy: -178.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2008.028610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.028610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.028610 (E_RNA) where: Base-Base interactions energy: -1313.528 where: short stacking energy: -613.964 Base-Backbone interact. energy: -1.890 local terms energy: -692.610835 where: bonds (distance) C4'-P energy: -151.856 bonds (distance) P-C4' energy: -150.962 flat angles C4'-P-C4' energy: -154.121 flat angles P-C4'-P energy: -93.429 tors. eta vs tors. theta energy: -142.242 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: 167 Temperature: 1.150000 Total energy: -1905.973992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.973992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.973992 (E_RNA) where: Base-Base interactions energy: -1236.684 where: short stacking energy: -598.117 Base-Backbone interact. energy: 1.734 local terms energy: -671.024825 where: bonds (distance) C4'-P energy: -127.759 bonds (distance) P-C4' energy: -145.548 flat angles C4'-P-C4' energy: -166.861 flat angles P-C4'-P energy: -91.253 tors. eta vs tors. theta energy: -139.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1585.031757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.031757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.031757 (E_RNA) where: Base-Base interactions energy: -994.897 where: short stacking energy: -450.885 Base-Backbone interact. energy: -2.783 local terms energy: -587.351896 where: bonds (distance) C4'-P energy: -124.064 bonds (distance) P-C4' energy: -142.806 flat angles C4'-P-C4' energy: -149.751 flat angles P-C4'-P energy: -86.003 tors. eta vs tors. theta energy: -84.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1133.981325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.981325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.981325 (E_RNA) where: Base-Base interactions energy: -663.094 where: short stacking energy: -343.916 Base-Backbone interact. energy: 3.153 local terms energy: -474.040352 where: bonds (distance) C4'-P energy: -118.568 bonds (distance) P-C4' energy: -139.207 flat angles C4'-P-C4' energy: -126.712 flat angles P-C4'-P energy: -76.138 tors. eta vs tors. theta energy: -13.416 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: 10 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -876.126469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.126469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.126469 (E_RNA) where: Base-Base interactions energy: -435.018 where: short stacking energy: -245.833 Base-Backbone interact. energy: -0.151 local terms energy: -440.957527 where: bonds (distance) C4'-P energy: -120.069 bonds (distance) P-C4' energy: -121.797 flat angles C4'-P-C4' energy: -142.865 flat angles P-C4'-P energy: -50.377 tors. eta vs tors. theta energy: -5.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -821.421280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.421280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.421280 (E_RNA) where: Base-Base interactions energy: -398.277 where: short stacking energy: -236.603 Base-Backbone interact. energy: 5.188 local terms energy: -428.332353 where: bonds (distance) C4'-P energy: -127.565 bonds (distance) P-C4' energy: -131.049 flat angles C4'-P-C4' energy: -103.939 flat angles P-C4'-P energy: -59.280 tors. eta vs tors. theta energy: -6.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2697.354836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.354836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.354836 (E_RNA) where: Base-Base interactions energy: -1836.159 where: short stacking energy: -803.809 Base-Backbone interact. energy: -0.818 local terms energy: -860.377941 where: bonds (distance) C4'-P energy: -164.774 bonds (distance) P-C4' energy: -161.939 flat angles C4'-P-C4' energy: -186.671 flat angles P-C4'-P energy: -116.428 tors. eta vs tors. theta energy: -230.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2495.306001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.306001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.306001 (E_RNA) where: Base-Base interactions energy: -1696.298 where: short stacking energy: -733.268 Base-Backbone interact. energy: -2.317 local terms energy: -796.691682 where: bonds (distance) C4'-P energy: -141.750 bonds (distance) P-C4' energy: -154.524 flat angles C4'-P-C4' energy: -183.581 flat angles P-C4'-P energy: -110.721 tors. eta vs tors. theta energy: -206.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2410.200678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.200678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.200678 (E_RNA) where: Base-Base interactions energy: -1661.971 where: short stacking energy: -707.574 Base-Backbone interact. energy: 3.138 local terms energy: -751.368236 where: bonds (distance) C4'-P energy: -115.624 bonds (distance) P-C4' energy: -159.742 flat angles C4'-P-C4' energy: -176.306 flat angles P-C4'-P energy: -104.265 tors. eta vs tors. theta energy: -195.431 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: 4, replica: 9 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2199.490947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.490947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.490947 (E_RNA) where: Base-Base interactions energy: -1492.410 where: short stacking energy: -682.365 Base-Backbone interact. energy: 1.692 local terms energy: -708.773004 where: bonds (distance) C4'-P energy: -125.800 bonds (distance) P-C4' energy: -140.253 flat angles C4'-P-C4' energy: -143.568 flat angles P-C4'-P energy: -125.973 tors. eta vs tors. theta energy: -173.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2041.480948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.480948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.480948 (E_RNA) where: Base-Base interactions energy: -1333.924 where: short stacking energy: -609.912 Base-Backbone interact. energy: -0.167 local terms energy: -707.390663 where: bonds (distance) C4'-P energy: -142.149 bonds (distance) P-C4' energy: -132.534 flat angles C4'-P-C4' energy: -170.259 flat angles P-C4'-P energy: -108.150 tors. eta vs tors. theta energy: -154.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1827.959895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.959895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.959895 (E_RNA) where: Base-Base interactions energy: -1197.529 where: short stacking energy: -525.851 Base-Backbone interact. energy: -4.729 local terms energy: -625.701856 where: bonds (distance) C4'-P energy: -137.943 bonds (distance) P-C4' energy: -137.941 flat angles C4'-P-C4' energy: -143.087 flat angles P-C4'-P energy: -87.082 tors. eta vs tors. theta energy: -119.650 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: 2 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1644.987503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.987503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.987503 (E_RNA) where: Base-Base interactions energy: -1030.023 where: short stacking energy: -456.554 Base-Backbone interact. energy: -1.179 local terms energy: -613.784926 where: bonds (distance) C4'-P energy: -155.500 bonds (distance) P-C4' energy: -136.044 flat angles C4'-P-C4' energy: -127.659 flat angles P-C4'-P energy: -94.102 tors. eta vs tors. theta energy: -100.480 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: 8 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1131.600246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.600246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.600246 (E_RNA) where: Base-Base interactions energy: -629.737 where: short stacking energy: -321.523 Base-Backbone interact. energy: 0.954 local terms energy: -502.817216 where: bonds (distance) C4'-P energy: -142.806 bonds (distance) P-C4' energy: -140.414 flat angles C4'-P-C4' energy: -123.526 flat angles P-C4'-P energy: -65.757 tors. eta vs tors. theta energy: -30.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -913.277819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.277819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.277819 (E_RNA) where: Base-Base interactions energy: -445.279 where: short stacking energy: -245.329 Base-Backbone interact. energy: -1.387 local terms energy: -466.612481 where: bonds (distance) C4'-P energy: -136.105 bonds (distance) P-C4' energy: -149.904 flat angles C4'-P-C4' energy: -106.934 flat angles P-C4'-P energy: -91.305 tors. eta vs tors. theta energy: 17.635 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: 7 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -795.758209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.758209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.758209 (E_RNA) where: Base-Base interactions energy: -355.104 where: short stacking energy: -230.056 Base-Backbone interact. energy: -5.249 local terms energy: -435.405351 where: bonds (distance) C4'-P energy: -119.519 bonds (distance) P-C4' energy: -121.869 flat angles C4'-P-C4' energy: -131.426 flat angles P-C4'-P energy: -79.225 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: 3 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2712.440452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.440452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.440452 (E_RNA) where: Base-Base interactions energy: -1839.149 where: short stacking energy: -803.384 Base-Backbone interact. energy: -4.495 local terms energy: -868.796602 where: bonds (distance) C4'-P energy: -154.931 bonds (distance) P-C4' energy: -173.374 flat angles C4'-P-C4' energy: -194.377 flat angles P-C4'-P energy: -119.606 tors. eta vs tors. theta energy: -226.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2496.442760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.442760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.442760 (E_RNA) where: Base-Base interactions energy: -1677.191 where: short stacking energy: -769.571 Base-Backbone interact. energy: -0.997 local terms energy: -818.254692 where: bonds (distance) C4'-P energy: -176.917 bonds (distance) P-C4' energy: -148.520 flat angles C4'-P-C4' energy: -166.802 flat angles P-C4'-P energy: -118.624 tors. eta vs tors. theta energy: -207.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2400.871469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.871469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.871469 (E_RNA) where: Base-Base interactions energy: -1670.811 where: short stacking energy: -721.742 Base-Backbone interact. energy: 7.336 local terms energy: -737.396200 where: bonds (distance) C4'-P energy: -123.135 bonds (distance) P-C4' energy: -145.158 flat angles C4'-P-C4' energy: -163.232 flat angles P-C4'-P energy: -98.910 tors. eta vs tors. theta energy: -206.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2196.045750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.045750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.045750 (E_RNA) where: Base-Base interactions energy: -1454.783 where: short stacking energy: -640.097 Base-Backbone interact. energy: 1.395 local terms energy: -742.657391 where: bonds (distance) C4'-P energy: -150.795 bonds (distance) P-C4' energy: -152.594 flat angles C4'-P-C4' energy: -165.237 flat angles P-C4'-P energy: -103.476 tors. eta vs tors. theta energy: -170.555 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: 5 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2014.385595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.385595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.385595 (E_RNA) where: Base-Base interactions energy: -1329.453 where: short stacking energy: -602.288 Base-Backbone interact. energy: 1.414 local terms energy: -686.346108 where: bonds (distance) C4'-P energy: -136.533 bonds (distance) P-C4' energy: -147.099 flat angles C4'-P-C4' energy: -150.646 flat angles P-C4'-P energy: -106.064 tors. eta vs tors. theta energy: -146.003 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: 4 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1780.635546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.635546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.635546 (E_RNA) where: Base-Base interactions energy: -1170.433 where: short stacking energy: -534.289 Base-Backbone interact. energy: -1.003 local terms energy: -609.198951 where: bonds (distance) C4'-P energy: -120.530 bonds (distance) P-C4' energy: -143.432 flat angles C4'-P-C4' energy: -142.293 flat angles P-C4'-P energy: -94.337 tors. eta vs tors. theta energy: -108.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1640.828034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.828034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.828034 (E_RNA) where: Base-Base interactions energy: -1050.203 where: short stacking energy: -469.584 Base-Backbone interact. energy: -1.190 local terms energy: -589.435412 where: bonds (distance) C4'-P energy: -135.638 bonds (distance) P-C4' energy: -138.443 flat angles C4'-P-C4' energy: -141.627 flat angles P-C4'-P energy: -84.013 tors. eta vs tors. theta energy: -89.714 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: 8 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1116.385997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.385997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.385997 (E_RNA) where: Base-Base interactions energy: -643.824 where: short stacking energy: -314.254 Base-Backbone interact. energy: 1.602 local terms energy: -474.164007 where: bonds (distance) C4'-P energy: -121.330 bonds (distance) P-C4' energy: -149.136 flat angles C4'-P-C4' energy: -120.083 flat angles P-C4'-P energy: -71.475 tors. eta vs tors. theta energy: -12.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -936.602153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.602153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.602153 (E_RNA) where: Base-Base interactions energy: -495.986 where: short stacking energy: -295.956 Base-Backbone interact. energy: -2.270 local terms energy: -438.345735 where: bonds (distance) C4'-P energy: -106.967 bonds (distance) P-C4' energy: -129.916 flat angles C4'-P-C4' energy: -116.609 flat angles P-C4'-P energy: -72.896 tors. eta vs tors. theta energy: -11.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -835.825540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.825540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.825540 (E_RNA) where: Base-Base interactions energy: -414.864 where: short stacking energy: -205.694 Base-Backbone interact. energy: 2.534 local terms energy: -423.495727 where: bonds (distance) C4'-P energy: -120.039 bonds (distance) P-C4' energy: -140.063 flat angles C4'-P-C4' energy: -112.177 flat angles P-C4'-P energy: -76.423 tors. eta vs tors. theta energy: 25.205 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: 3 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2700.369525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.369525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.369525 (E_RNA) where: Base-Base interactions energy: -1851.122 where: short stacking energy: -803.508 Base-Backbone interact. energy: 0.343 local terms energy: -849.590357 where: bonds (distance) C4'-P energy: -141.302 bonds (distance) P-C4' energy: -161.804 flat angles C4'-P-C4' energy: -174.437 flat angles P-C4'-P energy: -142.691 tors. eta vs tors. theta energy: -229.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2492.709722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.709722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.709722 (E_RNA) where: Base-Base interactions energy: -1686.339 where: short stacking energy: -731.557 Base-Backbone interact. energy: -4.937 local terms energy: -801.433178 where: bonds (distance) C4'-P energy: -155.731 bonds (distance) P-C4' energy: -168.957 flat angles C4'-P-C4' energy: -165.410 flat angles P-C4'-P energy: -112.598 tors. eta vs tors. theta energy: -198.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2407.577885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.577885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.577885 (E_RNA) where: Base-Base interactions energy: -1656.897 where: short stacking energy: -699.182 Base-Backbone interact. energy: 5.619 local terms energy: -756.299778 where: bonds (distance) C4'-P energy: -144.123 bonds (distance) P-C4' energy: -157.478 flat angles C4'-P-C4' energy: -169.857 flat angles P-C4'-P energy: -95.025 tors. eta vs tors. theta energy: -189.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2229.884259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.884259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.884259 (E_RNA) where: Base-Base interactions energy: -1483.833 where: short stacking energy: -689.757 Base-Backbone interact. energy: 1.063 local terms energy: -747.113989 where: bonds (distance) C4'-P energy: -141.772 bonds (distance) P-C4' energy: -156.639 flat angles C4'-P-C4' energy: -172.354 flat angles P-C4'-P energy: -98.960 tors. eta vs tors. theta energy: -177.389 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: 5 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2032.886708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.886708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.886708 (E_RNA) where: Base-Base interactions energy: -1330.017 where: short stacking energy: -585.135 Base-Backbone interact. energy: -6.012 local terms energy: -696.857259 where: bonds (distance) C4'-P energy: -143.547 bonds (distance) P-C4' energy: -155.059 flat angles C4'-P-C4' energy: -161.469 flat angles P-C4'-P energy: -110.774 tors. eta vs tors. theta energy: -126.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1907.611635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.611635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.611635 (E_RNA) where: Base-Base interactions energy: -1182.610 where: short stacking energy: -572.136 Base-Backbone interact. energy: 3.268 local terms energy: -728.270464 where: bonds (distance) C4'-P energy: -138.522 bonds (distance) P-C4' energy: -165.313 flat angles C4'-P-C4' energy: -164.997 flat angles P-C4'-P energy: -94.008 tors. eta vs tors. theta energy: -165.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1646.770666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.770666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.770666 (E_RNA) where: Base-Base interactions energy: -1077.116 where: short stacking energy: -491.211 Base-Backbone interact. energy: -0.363 local terms energy: -569.291573 where: bonds (distance) C4'-P energy: -145.467 bonds (distance) P-C4' energy: -130.853 flat angles C4'-P-C4' energy: -123.864 flat angles P-C4'-P energy: -76.725 tors. eta vs tors. theta energy: -92.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1154.786967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.786967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.786967 (E_RNA) where: Base-Base interactions energy: -668.068 where: short stacking energy: -314.579 Base-Backbone interact. energy: 1.066 local terms energy: -487.785217 where: bonds (distance) C4'-P energy: -144.863 bonds (distance) P-C4' energy: -144.765 flat angles C4'-P-C4' energy: -127.382 flat angles P-C4'-P energy: -80.942 tors. eta vs tors. theta energy: 10.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -843.397744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.397744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.397744 (E_RNA) where: Base-Base interactions energy: -418.195 where: short stacking energy: -265.939 Base-Backbone interact. energy: 0.281 local terms energy: -425.483906 where: bonds (distance) C4'-P energy: -124.721 bonds (distance) P-C4' energy: -134.276 flat angles C4'-P-C4' energy: -104.900 flat angles P-C4'-P energy: -71.088 tors. eta vs tors. theta energy: 9.502 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: 10 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -800.928681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.928681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.928681 (E_RNA) where: Base-Base interactions energy: -377.694 where: short stacking energy: -219.905 Base-Backbone interact. energy: 0.344 local terms energy: -423.578605 where: bonds (distance) C4'-P energy: -125.849 bonds (distance) P-C4' energy: -143.817 flat angles C4'-P-C4' energy: -97.938 flat angles P-C4'-P energy: -73.964 tors. eta vs tors. theta energy: 17.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2690.564615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.564615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.564615 (E_RNA) where: Base-Base interactions energy: -1865.942 where: short stacking energy: -814.254 Base-Backbone interact. energy: 5.043 local terms energy: -829.665265 where: bonds (distance) C4'-P energy: -158.938 bonds (distance) P-C4' energy: -156.129 flat angles C4'-P-C4' energy: -174.729 flat angles P-C4'-P energy: -116.312 tors. eta vs tors. theta energy: -223.557 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: 1 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2535.603393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.603393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.603393 (E_RNA) where: Base-Base interactions energy: -1729.415 where: short stacking energy: -732.175 Base-Backbone interact. energy: 0.900 local terms energy: -807.088626 where: bonds (distance) C4'-P energy: -153.599 bonds (distance) P-C4' energy: -159.555 flat angles C4'-P-C4' energy: -164.799 flat angles P-C4'-P energy: -115.915 tors. eta vs tors. theta energy: -213.221 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: 6 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2402.869349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.869349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.869349 (E_RNA) where: Base-Base interactions energy: -1605.818 where: short stacking energy: -694.839 Base-Backbone interact. energy: 5.236 local terms energy: -802.287644 where: bonds (distance) C4'-P energy: -150.236 bonds (distance) P-C4' energy: -164.706 flat angles C4'-P-C4' energy: -173.731 flat angles P-C4'-P energy: -112.842 tors. eta vs tors. theta energy: -200.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2185.027131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.027131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.027131 (E_RNA) where: Base-Base interactions energy: -1452.303 where: short stacking energy: -649.081 Base-Backbone interact. energy: -5.022 local terms energy: -727.701231 where: bonds (distance) C4'-P energy: -145.283 bonds (distance) P-C4' energy: -155.637 flat angles C4'-P-C4' energy: -169.287 flat angles P-C4'-P energy: -99.611 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: 5, replica: 5 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2055.351253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.351253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.351253 (E_RNA) where: Base-Base interactions energy: -1365.645 where: short stacking energy: -592.345 Base-Backbone interact. energy: 1.959 local terms energy: -691.664564 where: bonds (distance) C4'-P energy: -141.838 bonds (distance) P-C4' energy: -141.991 flat angles C4'-P-C4' energy: -145.218 flat angles P-C4'-P energy: -117.117 tors. eta vs tors. theta energy: -145.501 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: 171 Temperature: 1.150000 Total energy: -1808.234135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.234135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.234135 (E_RNA) where: Base-Base interactions energy: -1126.951 where: short stacking energy: -512.397 Base-Backbone interact. energy: -3.005 local terms energy: -678.277885 where: bonds (distance) C4'-P energy: -155.892 bonds (distance) P-C4' energy: -153.471 flat angles C4'-P-C4' energy: -146.198 flat angles P-C4'-P energy: -99.751 tors. eta vs tors. theta energy: -122.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1606.839799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.839799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.839799 (E_RNA) where: Base-Base interactions energy: -1065.793 where: short stacking energy: -498.534 Base-Backbone interact. energy: -4.876 local terms energy: -536.171334 where: bonds (distance) C4'-P energy: -114.015 bonds (distance) P-C4' energy: -119.099 flat angles C4'-P-C4' energy: -138.156 flat angles P-C4'-P energy: -81.311 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: 8, replica: 8 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1127.972447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.972447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.972447 (E_RNA) where: Base-Base interactions energy: -609.544 where: short stacking energy: -297.456 Base-Backbone interact. energy: 6.311 local terms energy: -524.739455 where: bonds (distance) C4'-P energy: -135.993 bonds (distance) P-C4' energy: -147.045 flat angles C4'-P-C4' energy: -131.592 flat angles P-C4'-P energy: -89.106 tors. eta vs tors. theta energy: -21.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -915.277587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.277587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.277587 (E_RNA) where: Base-Base interactions energy: -446.467 where: short stacking energy: -265.146 Base-Backbone interact. energy: 0.323 local terms energy: -469.133123 where: bonds (distance) C4'-P energy: -133.401 bonds (distance) P-C4' energy: -125.041 flat angles C4'-P-C4' energy: -130.087 flat angles P-C4'-P energy: -88.894 tors. eta vs tors. theta energy: 8.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -741.226209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.226209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.226209 (E_RNA) where: Base-Base interactions energy: -313.907 where: short stacking energy: -174.931 Base-Backbone interact. energy: 4.372 local terms energy: -431.691135 where: bonds (distance) C4'-P energy: -127.541 bonds (distance) P-C4' energy: -135.796 flat angles C4'-P-C4' energy: -127.838 flat angles P-C4'-P energy: -72.098 tors. eta vs tors. theta energy: 31.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2678.602320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.602320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.602320 (E_RNA) where: Base-Base interactions energy: -1821.844 where: short stacking energy: -777.064 Base-Backbone interact. energy: -3.108 local terms energy: -853.650214 where: bonds (distance) C4'-P energy: -164.195 bonds (distance) P-C4' energy: -174.750 flat angles C4'-P-C4' energy: -176.532 flat angles P-C4'-P energy: -118.048 tors. eta vs tors. theta energy: -220.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2567.450304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.450304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.450304 (E_RNA) where: Base-Base interactions energy: -1737.094 where: short stacking energy: -746.806 Base-Backbone interact. energy: 0.579 local terms energy: -830.935508 where: bonds (distance) C4'-P energy: -155.329 bonds (distance) P-C4' energy: -173.195 flat angles C4'-P-C4' energy: -175.320 flat angles P-C4'-P energy: -123.540 tors. eta vs tors. theta energy: -203.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2401.681330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.681330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.681330 (E_RNA) where: Base-Base interactions energy: -1612.056 where: short stacking energy: -724.924 Base-Backbone interact. energy: 1.533 local terms energy: -791.158677 where: bonds (distance) C4'-P energy: -155.082 bonds (distance) P-C4' energy: -148.622 flat angles C4'-P-C4' energy: -171.987 flat angles P-C4'-P energy: -106.613 tors. eta vs tors. theta energy: -208.854 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: 9 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2187.653915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.653915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.653915 (E_RNA) where: Base-Base interactions energy: -1455.421 where: short stacking energy: -666.310 Base-Backbone interact. energy: -3.714 local terms energy: -728.519106 where: bonds (distance) C4'-P energy: -147.128 bonds (distance) P-C4' energy: -138.665 flat angles C4'-P-C4' energy: -173.408 flat angles P-C4'-P energy: -92.797 tors. eta vs tors. theta energy: -176.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2074.476104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.476104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.476104 (E_RNA) where: Base-Base interactions energy: -1382.967 where: short stacking energy: -589.102 Base-Backbone interact. energy: -3.226 local terms energy: -688.283152 where: bonds (distance) C4'-P energy: -146.900 bonds (distance) P-C4' energy: -155.116 flat angles C4'-P-C4' energy: -164.792 flat angles P-C4'-P energy: -82.217 tors. eta vs tors. theta energy: -139.257 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: 172 Temperature: 1.150000 Total energy: -1787.178152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.178152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.178152 (E_RNA) where: Base-Base interactions energy: -1161.250 where: short stacking energy: -516.931 Base-Backbone interact. energy: -1.153 local terms energy: -624.775511 where: bonds (distance) C4'-P energy: -140.468 bonds (distance) P-C4' energy: -143.861 flat angles C4'-P-C4' energy: -145.933 flat angles P-C4'-P energy: -78.163 tors. eta vs tors. theta energy: -116.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1692.562356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.562356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.562356 (E_RNA) where: Base-Base interactions energy: -1107.405 where: short stacking energy: -510.857 Base-Backbone interact. energy: 0.144 local terms energy: -585.301212 where: bonds (distance) C4'-P energy: -126.369 bonds (distance) P-C4' energy: -131.698 flat angles C4'-P-C4' energy: -150.073 flat angles P-C4'-P energy: -73.579 tors. eta vs tors. theta energy: -103.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1175.691164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.691164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.691164 (E_RNA) where: Base-Base interactions energy: -674.641 where: short stacking energy: -351.250 Base-Backbone interact. energy: -0.443 local terms energy: -500.606940 where: bonds (distance) C4'-P energy: -127.471 bonds (distance) P-C4' energy: -146.748 flat angles C4'-P-C4' energy: -116.442 flat angles P-C4'-P energy: -82.861 tors. eta vs tors. theta energy: -27.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -918.983161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.983161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.983161 (E_RNA) where: Base-Base interactions energy: -454.076 where: short stacking energy: -274.129 Base-Backbone interact. energy: -3.136 local terms energy: -461.771964 where: bonds (distance) C4'-P energy: -118.501 bonds (distance) P-C4' energy: -143.635 flat angles C4'-P-C4' energy: -130.168 flat angles P-C4'-P energy: -63.460 tors. eta vs tors. theta energy: -6.008 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: 10 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -789.472021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.472021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.472021 (E_RNA) where: Base-Base interactions energy: -397.582 where: short stacking energy: -200.889 Base-Backbone interact. energy: 2.336 local terms energy: -394.226002 where: bonds (distance) C4'-P energy: -113.933 bonds (distance) P-C4' energy: -119.699 flat angles C4'-P-C4' energy: -129.731 flat angles P-C4'-P energy: -57.028 tors. eta vs tors. theta energy: 26.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2672.289896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.289896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.289896 (E_RNA) where: Base-Base interactions energy: -1835.434 where: short stacking energy: -800.629 Base-Backbone interact. energy: -1.477 local terms energy: -835.378584 where: bonds (distance) C4'-P energy: -153.438 bonds (distance) P-C4' energy: -158.226 flat angles C4'-P-C4' energy: -184.417 flat angles P-C4'-P energy: -111.409 tors. eta vs tors. theta energy: -227.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2530.897356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.897356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.897356 (E_RNA) where: Base-Base interactions energy: -1696.994 where: short stacking energy: -777.914 Base-Backbone interact. energy: -2.532 local terms energy: -831.370868 where: bonds (distance) C4'-P energy: -159.294 bonds (distance) P-C4' energy: -148.834 flat angles C4'-P-C4' energy: -180.691 flat angles P-C4'-P energy: -115.481 tors. eta vs tors. theta energy: -227.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2429.916451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.916451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.916451 (E_RNA) where: Base-Base interactions energy: -1617.736 where: short stacking energy: -724.386 Base-Backbone interact. energy: -3.573 local terms energy: -808.608018 where: bonds (distance) C4'-P energy: -161.995 bonds (distance) P-C4' energy: -153.053 flat angles C4'-P-C4' energy: -183.702 flat angles P-C4'-P energy: -100.806 tors. eta vs tors. theta energy: -209.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2201.588105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.588105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.588105 (E_RNA) where: Base-Base interactions energy: -1485.567 where: short stacking energy: -656.605 Base-Backbone interact. energy: -6.277 local terms energy: -709.743420 where: bonds (distance) C4'-P energy: -121.131 bonds (distance) P-C4' energy: -146.641 flat angles C4'-P-C4' energy: -167.837 flat angles P-C4'-P energy: -107.837 tors. eta vs tors. theta energy: -166.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2043.104997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.104997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.104997 (E_RNA) where: Base-Base interactions energy: -1367.611 where: short stacking energy: -637.142 Base-Backbone interact. energy: -0.372 local terms energy: -675.122750 where: bonds (distance) C4'-P energy: -140.555 bonds (distance) P-C4' energy: -147.690 flat angles C4'-P-C4' energy: -138.705 flat angles P-C4'-P energy: -95.733 tors. eta vs tors. theta energy: -152.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1853.815660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.815660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.815660 (E_RNA) where: Base-Base interactions energy: -1163.464 where: short stacking energy: -564.800 Base-Backbone interact. energy: -1.848 local terms energy: -688.503742 where: bonds (distance) C4'-P energy: -134.035 bonds (distance) P-C4' energy: -148.546 flat angles C4'-P-C4' energy: -162.730 flat angles P-C4'-P energy: -109.615 tors. eta vs tors. theta energy: -133.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1678.952513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.952513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.952513 (E_RNA) where: Base-Base interactions energy: -1108.180 where: short stacking energy: -445.712 Base-Backbone interact. energy: -2.152 local terms energy: -568.620069 where: bonds (distance) C4'-P energy: -113.312 bonds (distance) P-C4' energy: -140.826 flat angles C4'-P-C4' energy: -130.331 flat angles P-C4'-P energy: -94.163 tors. eta vs tors. theta energy: -89.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1187.166484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.166484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.166484 (E_RNA) where: Base-Base interactions energy: -687.098 where: short stacking energy: -359.945 Base-Backbone interact. energy: 2.239 local terms energy: -502.307218 where: bonds (distance) C4'-P energy: -126.564 bonds (distance) P-C4' energy: -145.597 flat angles C4'-P-C4' energy: -120.917 flat angles P-C4'-P energy: -74.414 tors. eta vs tors. theta energy: -34.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -876.616336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.616336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.616336 (E_RNA) where: Base-Base interactions energy: -433.372 where: short stacking energy: -242.347 Base-Backbone interact. energy: -0.986 local terms energy: -442.258408 where: bonds (distance) C4'-P energy: -125.925 bonds (distance) P-C4' energy: -145.716 flat angles C4'-P-C4' energy: -115.693 flat angles P-C4'-P energy: -54.135 tors. eta vs tors. theta energy: -0.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -701.528899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.528899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.528899 (E_RNA) where: Base-Base interactions energy: -292.955 where: short stacking energy: -198.119 Base-Backbone interact. energy: 6.772 local terms energy: -415.345702 where: bonds (distance) C4'-P energy: -134.822 bonds (distance) P-C4' energy: -136.547 flat angles C4'-P-C4' energy: -101.912 flat angles P-C4'-P energy: -51.437 tors. eta vs tors. theta energy: 9.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2699.778117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.778117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.778117 (E_RNA) where: Base-Base interactions energy: -1864.663 where: short stacking energy: -765.217 Base-Backbone interact. energy: -1.466 local terms energy: -833.649291 where: bonds (distance) C4'-P energy: -161.416 bonds (distance) P-C4' energy: -157.775 flat angles C4'-P-C4' energy: -184.761 flat angles P-C4'-P energy: -125.468 tors. eta vs tors. theta energy: -204.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2539.433414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.433414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.433414 (E_RNA) where: Base-Base interactions energy: -1717.400 where: short stacking energy: -749.970 Base-Backbone interact. energy: -2.066 local terms energy: -819.967259 where: bonds (distance) C4'-P energy: -147.001 bonds (distance) P-C4' energy: -150.672 flat angles C4'-P-C4' energy: -174.873 flat angles P-C4'-P energy: -134.023 tors. eta vs tors. theta energy: -213.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2398.320539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.320539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.320539 (E_RNA) where: Base-Base interactions energy: -1603.753 where: short stacking energy: -724.802 Base-Backbone interact. energy: -5.334 local terms energy: -789.233751 where: bonds (distance) C4'-P energy: -151.940 bonds (distance) P-C4' energy: -139.827 flat angles C4'-P-C4' energy: -173.185 flat angles P-C4'-P energy: -126.408 tors. eta vs tors. theta energy: -197.874 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: 9 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2212.468704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.468704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.468704 (E_RNA) where: Base-Base interactions energy: -1469.446 where: short stacking energy: -668.721 Base-Backbone interact. energy: -0.469 local terms energy: -742.553701 where: bonds (distance) C4'-P energy: -143.685 bonds (distance) P-C4' energy: -142.522 flat angles C4'-P-C4' energy: -172.321 flat angles P-C4'-P energy: -114.533 tors. eta vs tors. theta energy: -169.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2075.289094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.289094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.289094 (E_RNA) where: Base-Base interactions energy: -1356.079 where: short stacking energy: -631.441 Base-Backbone interact. energy: 2.220 local terms energy: -721.430514 where: bonds (distance) C4'-P energy: -136.449 bonds (distance) P-C4' energy: -150.739 flat angles C4'-P-C4' energy: -166.579 flat angles P-C4'-P energy: -95.007 tors. eta vs tors. theta energy: -172.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1883.407255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.407255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.407255 (E_RNA) where: Base-Base interactions energy: -1233.442 where: short stacking energy: -546.152 Base-Backbone interact. energy: -2.740 local terms energy: -647.225045 where: bonds (distance) C4'-P energy: -124.705 bonds (distance) P-C4' energy: -154.129 flat angles C4'-P-C4' energy: -155.964 flat angles P-C4'-P energy: -85.650 tors. eta vs tors. theta energy: -126.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1662.155600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.155600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.155600 (E_RNA) where: Base-Base interactions energy: -1056.668 where: short stacking energy: -457.472 Base-Backbone interact. energy: 1.141 local terms energy: -606.628723 where: bonds (distance) C4'-P energy: -138.995 bonds (distance) P-C4' energy: -145.449 flat angles C4'-P-C4' energy: -138.073 flat angles P-C4'-P energy: -85.235 tors. eta vs tors. theta energy: -98.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1240.765727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.765727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.765727 (E_RNA) where: Base-Base interactions energy: -698.616 where: short stacking energy: -321.446 Base-Backbone interact. energy: -3.401 local terms energy: -538.748414 where: bonds (distance) C4'-P energy: -142.186 bonds (distance) P-C4' energy: -134.294 flat angles C4'-P-C4' energy: -132.384 flat angles P-C4'-P energy: -84.482 tors. eta vs tors. theta energy: -45.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -777.595867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.595867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.595867 (E_RNA) where: Base-Base interactions energy: -377.178 where: short stacking energy: -221.184 Base-Backbone interact. energy: 5.362 local terms energy: -405.779554 where: bonds (distance) C4'-P energy: -127.586 bonds (distance) P-C4' energy: -127.000 flat angles C4'-P-C4' energy: -119.991 flat angles P-C4'-P energy: -55.548 tors. eta vs tors. theta energy: 24.345 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: 10 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -746.947644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.947644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.947644 (E_RNA) where: Base-Base interactions energy: -315.415 where: short stacking energy: -206.681 Base-Backbone interact. energy: 5.587 local terms energy: -437.120029 where: bonds (distance) C4'-P energy: -118.150 bonds (distance) P-C4' energy: -128.146 flat angles C4'-P-C4' energy: -132.076 flat angles P-C4'-P energy: -72.882 tors. eta vs tors. theta energy: 14.134 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: 3 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2716.170624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.170624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.170624 (E_RNA) where: Base-Base interactions energy: -1863.355 where: short stacking energy: -817.599 Base-Backbone interact. energy: -4.254 local terms energy: -848.561205 where: bonds (distance) C4'-P energy: -146.894 bonds (distance) P-C4' energy: -164.303 flat angles C4'-P-C4' energy: -180.153 flat angles P-C4'-P energy: -133.182 tors. eta vs tors. theta energy: -224.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2501.629443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.629443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.629443 (E_RNA) where: Base-Base interactions energy: -1677.699 where: short stacking energy: -726.001 Base-Backbone interact. energy: -3.031 local terms energy: -820.898969 where: bonds (distance) C4'-P energy: -151.689 bonds (distance) P-C4' energy: -151.277 flat angles C4'-P-C4' energy: -182.011 flat angles P-C4'-P energy: -125.061 tors. eta vs tors. theta energy: -210.861 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: 6 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2400.455841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.455841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.455841 (E_RNA) where: Base-Base interactions energy: -1585.530 where: short stacking energy: -715.087 Base-Backbone interact. energy: -4.350 local terms energy: -810.576437 where: bonds (distance) C4'-P energy: -137.265 bonds (distance) P-C4' energy: -166.922 flat angles C4'-P-C4' energy: -173.761 flat angles P-C4'-P energy: -128.235 tors. eta vs tors. theta energy: -204.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2239.351347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.351347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.351347 (E_RNA) where: Base-Base interactions energy: -1498.370 where: short stacking energy: -664.843 Base-Backbone interact. energy: 1.801 local terms energy: -742.783021 where: bonds (distance) C4'-P energy: -150.342 bonds (distance) P-C4' energy: -154.529 flat angles C4'-P-C4' energy: -172.561 flat angles P-C4'-P energy: -111.255 tors. eta vs tors. theta energy: -154.095 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: 5 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2071.373822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.373822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.373822 (E_RNA) where: Base-Base interactions energy: -1341.339 where: short stacking energy: -626.421 Base-Backbone interact. energy: 5.014 local terms energy: -735.049398 where: bonds (distance) C4'-P energy: -147.283 bonds (distance) P-C4' energy: -140.882 flat angles C4'-P-C4' energy: -162.472 flat angles P-C4'-P energy: -116.939 tors. eta vs tors. theta energy: -167.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1940.825890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.825890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.825890 (E_RNA) where: Base-Base interactions energy: -1215.343 where: short stacking energy: -538.586 Base-Backbone interact. energy: -0.075 local terms energy: -725.407464 where: bonds (distance) C4'-P energy: -116.339 bonds (distance) P-C4' energy: -167.254 flat angles C4'-P-C4' energy: -178.547 flat angles P-C4'-P energy: -118.814 tors. eta vs tors. theta energy: -144.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1880.385762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.385762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.385762 (E_RNA) where: Base-Base interactions energy: -1255.201 where: short stacking energy: -528.367 Base-Backbone interact. energy: -0.216 local terms energy: -624.968652 where: bonds (distance) C4'-P energy: -130.028 bonds (distance) P-C4' energy: -135.042 flat angles C4'-P-C4' energy: -152.129 flat angles P-C4'-P energy: -82.194 tors. eta vs tors. theta energy: -125.575 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: 8 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1227.320194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.320194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.320194 (E_RNA) where: Base-Base interactions energy: -688.772 where: short stacking energy: -368.224 Base-Backbone interact. energy: 2.508 local terms energy: -541.056513 where: bonds (distance) C4'-P energy: -130.943 bonds (distance) P-C4' energy: -140.359 flat angles C4'-P-C4' energy: -138.897 flat angles P-C4'-P energy: -92.863 tors. eta vs tors. theta energy: -37.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -785.021336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.021336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.021336 (E_RNA) where: Base-Base interactions energy: -353.972 where: short stacking energy: -212.915 Base-Backbone interact. energy: 5.231 local terms energy: -436.281151 where: bonds (distance) C4'-P energy: -112.852 bonds (distance) P-C4' energy: -148.535 flat angles C4'-P-C4' energy: -106.050 flat angles P-C4'-P energy: -73.549 tors. eta vs tors. theta energy: 4.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -741.507575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.507575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.507575 (E_RNA) where: Base-Base interactions energy: -320.224 where: short stacking energy: -164.535 Base-Backbone interact. energy: 3.368 local terms energy: -424.651802 where: bonds (distance) C4'-P energy: -117.037 bonds (distance) P-C4' energy: -133.012 flat angles C4'-P-C4' energy: -118.484 flat angles P-C4'-P energy: -67.665 tors. eta vs tors. theta energy: 11.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2691.982374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.982374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.982374 (E_RNA) where: Base-Base interactions energy: -1855.559 where: short stacking energy: -803.857 Base-Backbone interact. energy: -5.689 local terms energy: -830.734719 where: bonds (distance) C4'-P energy: -157.542 bonds (distance) P-C4' energy: -147.149 flat angles C4'-P-C4' energy: -180.425 flat angles P-C4'-P energy: -117.673 tors. eta vs tors. theta energy: -227.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2533.219175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.219175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.219175 (E_RNA) where: Base-Base interactions energy: -1716.382 where: short stacking energy: -757.580 Base-Backbone interact. energy: -0.658 local terms energy: -816.178953 where: bonds (distance) C4'-P energy: -153.521 bonds (distance) P-C4' energy: -160.510 flat angles C4'-P-C4' energy: -167.345 flat angles P-C4'-P energy: -119.304 tors. eta vs tors. theta energy: -215.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2489.815528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.815528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.815528 (E_RNA) where: Base-Base interactions energy: -1676.751 where: short stacking energy: -753.797 Base-Backbone interact. energy: -3.211 local terms energy: -809.853376 where: bonds (distance) C4'-P energy: -144.452 bonds (distance) P-C4' energy: -162.370 flat angles C4'-P-C4' energy: -156.539 flat angles P-C4'-P energy: -117.938 tors. eta vs tors. theta energy: -228.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2237.988455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.988455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.988455 (E_RNA) where: Base-Base interactions energy: -1531.197 where: short stacking energy: -687.002 Base-Backbone interact. energy: -1.819 local terms energy: -704.973045 where: bonds (distance) C4'-P energy: -126.112 bonds (distance) P-C4' energy: -152.199 flat angles C4'-P-C4' energy: -149.742 flat angles P-C4'-P energy: -110.450 tors. eta vs tors. theta energy: -166.470 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: 5 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2040.850172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.850172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.850172 (E_RNA) where: Base-Base interactions energy: -1319.268 where: short stacking energy: -594.548 Base-Backbone interact. energy: -2.514 local terms energy: -719.068094 where: bonds (distance) C4'-P energy: -144.064 bonds (distance) P-C4' energy: -153.317 flat angles C4'-P-C4' energy: -168.027 flat angles P-C4'-P energy: -104.468 tors. eta vs tors. theta energy: -149.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1928.391342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.391342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.391342 (E_RNA) where: Base-Base interactions energy: -1240.369 where: short stacking energy: -573.245 Base-Backbone interact. energy: -1.461 local terms energy: -686.560666 where: bonds (distance) C4'-P energy: -142.415 bonds (distance) P-C4' energy: -143.226 flat angles C4'-P-C4' energy: -159.452 flat angles P-C4'-P energy: -84.594 tors. eta vs tors. theta energy: -156.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1947.919220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.919220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.919220 (E_RNA) where: Base-Base interactions energy: -1283.895 where: short stacking energy: -564.013 Base-Backbone interact. energy: -3.783 local terms energy: -660.241381 where: bonds (distance) C4'-P energy: -137.536 bonds (distance) P-C4' energy: -139.813 flat angles C4'-P-C4' energy: -153.349 flat angles P-C4'-P energy: -93.925 tors. eta vs tors. theta energy: -135.619 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: 8 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1159.900983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.900983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.900983 (E_RNA) where: Base-Base interactions energy: -671.578 where: short stacking energy: -312.403 Base-Backbone interact. energy: -0.945 local terms energy: -487.378071 where: bonds (distance) C4'-P energy: -123.149 bonds (distance) P-C4' energy: -127.889 flat angles C4'-P-C4' energy: -135.984 flat angles P-C4'-P energy: -77.204 tors. eta vs tors. theta energy: -23.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -783.615958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.615958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.615958 (E_RNA) where: Base-Base interactions energy: -316.067 where: short stacking energy: -203.543 Base-Backbone interact. energy: 5.423 local terms energy: -472.972467 where: bonds (distance) C4'-P energy: -130.698 bonds (distance) P-C4' energy: -136.769 flat angles C4'-P-C4' energy: -143.644 flat angles P-C4'-P energy: -71.572 tors. eta vs tors. theta energy: 9.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -812.720662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.720662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.720662 (E_RNA) where: Base-Base interactions energy: -381.394 where: short stacking energy: -230.234 Base-Backbone interact. energy: 2.338 local terms energy: -433.664049 where: bonds (distance) C4'-P energy: -119.450 bonds (distance) P-C4' energy: -120.299 flat angles C4'-P-C4' energy: -111.508 flat angles P-C4'-P energy: -77.874 tors. eta vs tors. theta energy: -4.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2692.372342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.372342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.372342 (E_RNA) where: Base-Base interactions energy: -1845.536 where: short stacking energy: -784.926 Base-Backbone interact. energy: -3.155 local terms energy: -843.681389 where: bonds (distance) C4'-P energy: -160.798 bonds (distance) P-C4' energy: -158.404 flat angles C4'-P-C4' energy: -175.222 flat angles P-C4'-P energy: -130.341 tors. eta vs tors. theta energy: -218.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2515.529449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.529449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.529449 (E_RNA) where: Base-Base interactions energy: -1685.648 where: short stacking energy: -732.888 Base-Backbone interact. energy: -1.766 local terms energy: -828.116203 where: bonds (distance) C4'-P energy: -159.241 bonds (distance) P-C4' energy: -159.314 flat angles C4'-P-C4' energy: -176.884 flat angles P-C4'-P energy: -119.015 tors. eta vs tors. theta energy: -213.662 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: 3, replica: 6 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2389.753823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.753823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.753823 (E_RNA) where: Base-Base interactions energy: -1607.905 where: short stacking energy: -708.618 Base-Backbone interact. energy: -1.177 local terms energy: -780.671486 where: bonds (distance) C4'-P energy: -157.223 bonds (distance) P-C4' energy: -165.964 flat angles C4'-P-C4' energy: -160.309 flat angles P-C4'-P energy: -112.960 tors. eta vs tors. theta energy: -184.215 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: 9 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2222.580676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.580676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.580676 (E_RNA) where: Base-Base interactions energy: -1529.063 where: short stacking energy: -643.967 Base-Backbone interact. energy: 3.674 local terms energy: -697.191635 where: bonds (distance) C4'-P energy: -142.251 bonds (distance) P-C4' energy: -150.627 flat angles C4'-P-C4' energy: -149.939 flat angles P-C4'-P energy: -99.886 tors. eta vs tors. theta energy: -154.488 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: 5, replica: 5 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2071.677489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.677489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.677489 (E_RNA) where: Base-Base interactions energy: -1353.262 where: short stacking energy: -615.626 Base-Backbone interact. energy: -5.848 local terms energy: -712.567344 where: bonds (distance) C4'-P energy: -140.694 bonds (distance) P-C4' energy: -160.005 flat angles C4'-P-C4' energy: -155.565 flat angles P-C4'-P energy: -106.226 tors. eta vs tors. theta energy: -150.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1879.897672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.897672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.897672 (E_RNA) where: Base-Base interactions energy: -1240.927 where: short stacking energy: -532.279 Base-Backbone interact. energy: -3.857 local terms energy: -635.114206 where: bonds (distance) C4'-P energy: -143.201 bonds (distance) P-C4' energy: -138.922 flat angles C4'-P-C4' energy: -146.164 flat angles P-C4'-P energy: -87.701 tors. eta vs tors. theta energy: -119.126 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: 2 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1973.899414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.899414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.899414 (E_RNA) where: Base-Base interactions energy: -1319.496 where: short stacking energy: -582.325 Base-Backbone interact. energy: -0.900 local terms energy: -653.503823 where: bonds (distance) C4'-P energy: -132.410 bonds (distance) P-C4' energy: -126.745 flat angles C4'-P-C4' energy: -159.731 flat angles P-C4'-P energy: -93.829 tors. eta vs tors. theta energy: -140.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1187.659555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.659555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.659555 (E_RNA) where: Base-Base interactions energy: -703.498 where: short stacking energy: -348.376 Base-Backbone interact. energy: 0.738 local terms energy: -484.900046 where: bonds (distance) C4'-P energy: -127.825 bonds (distance) P-C4' energy: -117.557 flat angles C4'-P-C4' energy: -130.787 flat angles P-C4'-P energy: -78.209 tors. eta vs tors. theta energy: -30.523 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: 7 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -846.257247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.257247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.257247 (E_RNA) where: Base-Base interactions energy: -379.369 where: short stacking energy: -219.663 Base-Backbone interact. energy: 0.352 local terms energy: -467.239930 where: bonds (distance) C4'-P energy: -139.103 bonds (distance) P-C4' energy: -140.380 flat angles C4'-P-C4' energy: -115.525 flat angles P-C4'-P energy: -89.729 tors. eta vs tors. theta energy: 17.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -791.252242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.252242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.252242 (E_RNA) where: Base-Base interactions energy: -359.855 where: short stacking energy: -184.595 Base-Backbone interact. energy: -1.734 local terms energy: -429.663162 where: bonds (distance) C4'-P energy: -114.719 bonds (distance) P-C4' energy: -140.943 flat angles C4'-P-C4' energy: -105.955 flat angles P-C4'-P energy: -89.979 tors. eta vs tors. theta energy: 21.933 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: 3 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2701.039223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.039223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.039223 (E_RNA) where: Base-Base interactions energy: -1858.221 where: short stacking energy: -776.271 Base-Backbone interact. energy: -4.691 local terms energy: -838.127208 where: bonds (distance) C4'-P energy: -157.829 bonds (distance) P-C4' energy: -169.438 flat angles C4'-P-C4' energy: -167.656 flat angles P-C4'-P energy: -119.868 tors. eta vs tors. theta energy: -223.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2587.888739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.888739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.888739 (E_RNA) where: Base-Base interactions energy: -1735.962 where: short stacking energy: -776.397 Base-Backbone interact. energy: -0.886 local terms energy: -851.040675 where: bonds (distance) C4'-P energy: -157.538 bonds (distance) P-C4' energy: -167.767 flat angles C4'-P-C4' energy: -190.309 flat angles P-C4'-P energy: -124.095 tors. eta vs tors. theta energy: -211.332 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: 6 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2415.521356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.521356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.521356 (E_RNA) where: Base-Base interactions energy: -1608.459 where: short stacking energy: -711.223 Base-Backbone interact. energy: -1.047 local terms energy: -806.015513 where: bonds (distance) C4'-P energy: -159.813 bonds (distance) P-C4' energy: -169.431 flat angles C4'-P-C4' energy: -164.369 flat angles P-C4'-P energy: -111.901 tors. eta vs tors. theta energy: -200.501 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: 9 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2194.825539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.825539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.825539 (E_RNA) where: Base-Base interactions energy: -1486.676 where: short stacking energy: -690.870 Base-Backbone interact. energy: -1.018 local terms energy: -707.131363 where: bonds (distance) C4'-P energy: -142.755 bonds (distance) P-C4' energy: -136.466 flat angles C4'-P-C4' energy: -163.037 flat angles P-C4'-P energy: -104.557 tors. eta vs tors. theta energy: -160.316 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: 4 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1997.730453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.730453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.730453 (E_RNA) where: Base-Base interactions energy: -1297.827 where: short stacking energy: -585.290 Base-Backbone interact. energy: 0.916 local terms energy: -700.818958 where: bonds (distance) C4'-P energy: -151.659 bonds (distance) P-C4' energy: -144.843 flat angles C4'-P-C4' energy: -146.595 flat angles P-C4'-P energy: -101.769 tors. eta vs tors. theta energy: -155.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1916.422540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.422540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.422540 (E_RNA) where: Base-Base interactions energy: -1224.472 where: short stacking energy: -534.515 Base-Backbone interact. energy: 0.842 local terms energy: -692.792958 where: bonds (distance) C4'-P energy: -156.175 bonds (distance) P-C4' energy: -153.859 flat angles C4'-P-C4' energy: -153.825 flat angles P-C4'-P energy: -92.273 tors. eta vs tors. theta energy: -136.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1868.300442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.300442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.300442 (E_RNA) where: Base-Base interactions energy: -1248.619 where: short stacking energy: -543.710 Base-Backbone interact. energy: 1.375 local terms energy: -621.057389 where: bonds (distance) C4'-P energy: -144.940 bonds (distance) P-C4' energy: -153.125 flat angles C4'-P-C4' energy: -151.118 flat angles P-C4'-P energy: -72.240 tors. eta vs tors. theta energy: -99.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1221.365310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.365310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.365310 (E_RNA) where: Base-Base interactions energy: -715.733 where: short stacking energy: -345.775 Base-Backbone interact. energy: -2.168 local terms energy: -503.464678 where: bonds (distance) C4'-P energy: -139.385 bonds (distance) P-C4' energy: -124.167 flat angles C4'-P-C4' energy: -114.857 flat angles P-C4'-P energy: -79.162 tors. eta vs tors. theta energy: -45.894 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: 7 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -871.235945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.235945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.235945 (E_RNA) where: Base-Base interactions energy: -407.664 where: short stacking energy: -226.195 Base-Backbone interact. energy: -2.224 local terms energy: -461.347063 where: bonds (distance) C4'-P energy: -136.089 bonds (distance) P-C4' energy: -138.701 flat angles C4'-P-C4' energy: -135.453 flat angles P-C4'-P energy: -56.788 tors. eta vs tors. theta energy: 5.684 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: 10 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -886.717579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.717579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.717579 (E_RNA) where: Base-Base interactions energy: -426.433 where: short stacking energy: -247.089 Base-Backbone interact. energy: -0.512 local terms energy: -459.772789 where: bonds (distance) C4'-P energy: -131.806 bonds (distance) P-C4' energy: -139.910 flat angles C4'-P-C4' energy: -96.435 flat angles P-C4'-P energy: -85.887 tors. eta vs tors. theta energy: -5.736 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: 3 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2714.848143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.848143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.848143 (E_RNA) where: Base-Base interactions energy: -1864.732 where: short stacking energy: -784.386 Base-Backbone interact. energy: 2.467 local terms energy: -852.582908 where: bonds (distance) C4'-P energy: -159.128 bonds (distance) P-C4' energy: -160.197 flat angles C4'-P-C4' energy: -178.048 flat angles P-C4'-P energy: -128.795 tors. eta vs tors. theta energy: -226.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2542.315789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.315789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.315789 (E_RNA) where: Base-Base interactions energy: -1727.741 where: short stacking energy: -747.348 Base-Backbone interact. energy: 2.410 local terms energy: -816.984373 where: bonds (distance) C4'-P energy: -162.847 bonds (distance) P-C4' energy: -151.641 flat angles C4'-P-C4' energy: -170.393 flat angles P-C4'-P energy: -124.123 tors. eta vs tors. theta energy: -207.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2461.261637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.261637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.261637 (E_RNA) where: Base-Base interactions energy: -1640.453 where: short stacking energy: -741.580 Base-Backbone interact. energy: 1.044 local terms energy: -821.852528 where: bonds (distance) C4'-P energy: -152.424 bonds (distance) P-C4' energy: -163.648 flat angles C4'-P-C4' energy: -184.159 flat angles P-C4'-P energy: -112.972 tors. eta vs tors. theta energy: -208.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2252.784652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.784652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.784652 (E_RNA) where: Base-Base interactions energy: -1488.934 where: short stacking energy: -670.351 Base-Backbone interact. energy: -2.598 local terms energy: -761.252830 where: bonds (distance) C4'-P energy: -152.753 bonds (distance) P-C4' energy: -158.179 flat angles C4'-P-C4' energy: -175.627 flat angles P-C4'-P energy: -106.217 tors. eta vs tors. theta energy: -168.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1991.110403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.110403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.110403 (E_RNA) where: Base-Base interactions energy: -1320.601 where: short stacking energy: -597.100 Base-Backbone interact. energy: 3.835 local terms energy: -674.345175 where: bonds (distance) C4'-P energy: -138.430 bonds (distance) P-C4' energy: -142.315 flat angles C4'-P-C4' energy: -150.272 flat angles P-C4'-P energy: -99.345 tors. eta vs tors. theta energy: -143.983 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: 179 Temperature: 1.150000 Total energy: -1946.236795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.236795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.236795 (E_RNA) where: Base-Base interactions energy: -1266.136 where: short stacking energy: -578.604 Base-Backbone interact. energy: -3.947 local terms energy: -676.153429 where: bonds (distance) C4'-P energy: -138.476 bonds (distance) P-C4' energy: -147.200 flat angles C4'-P-C4' energy: -156.032 flat angles P-C4'-P energy: -101.716 tors. eta vs tors. theta energy: -132.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1849.083145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.083145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.083145 (E_RNA) where: Base-Base interactions energy: -1241.248 where: short stacking energy: -512.447 Base-Backbone interact. energy: -3.466 local terms energy: -604.368644 where: bonds (distance) C4'-P energy: -153.197 bonds (distance) P-C4' energy: -127.248 flat angles C4'-P-C4' energy: -136.351 flat angles P-C4'-P energy: -92.042 tors. eta vs tors. theta energy: -95.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1203.664070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.664070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.664070 (E_RNA) where: Base-Base interactions energy: -706.464 where: short stacking energy: -342.489 Base-Backbone interact. energy: 0.657 local terms energy: -497.857294 where: bonds (distance) C4'-P energy: -121.675 bonds (distance) P-C4' energy: -132.717 flat angles C4'-P-C4' energy: -137.217 flat angles P-C4'-P energy: -89.448 tors. eta vs tors. theta energy: -16.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -844.520720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.520720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.520720 (E_RNA) where: Base-Base interactions energy: -402.082 where: short stacking energy: -242.339 Base-Backbone interact. energy: 4.662 local terms energy: -447.100906 where: bonds (distance) C4'-P energy: -144.140 bonds (distance) P-C4' energy: -126.377 flat angles C4'-P-C4' energy: -118.229 flat angles P-C4'-P energy: -56.628 tors. eta vs tors. theta energy: -1.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -803.288586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.288586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.288586 (E_RNA) where: Base-Base interactions energy: -395.599 where: short stacking energy: -236.355 Base-Backbone interact. energy: 3.425 local terms energy: -411.115018 where: bonds (distance) C4'-P energy: -106.144 bonds (distance) P-C4' energy: -127.938 flat angles C4'-P-C4' energy: -111.961 flat angles P-C4'-P energy: -78.318 tors. eta vs tors. theta energy: 13.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2689.554512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.554512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.554512 (E_RNA) where: Base-Base interactions energy: -1828.432 where: short stacking energy: -798.953 Base-Backbone interact. energy: -3.396 local terms energy: -857.726638 where: bonds (distance) C4'-P energy: -159.319 bonds (distance) P-C4' energy: -175.409 flat angles C4'-P-C4' energy: -179.726 flat angles P-C4'-P energy: -114.804 tors. eta vs tors. theta energy: -228.469 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: 1 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2531.876462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.876462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.876462 (E_RNA) where: Base-Base interactions energy: -1723.664 where: short stacking energy: -766.998 Base-Backbone interact. energy: -2.833 local terms energy: -805.379018 where: bonds (distance) C4'-P energy: -141.328 bonds (distance) P-C4' energy: -164.357 flat angles C4'-P-C4' energy: -172.004 flat angles P-C4'-P energy: -121.438 tors. eta vs tors. theta energy: -206.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2368.159226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.159226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.159226 (E_RNA) where: Base-Base interactions energy: -1565.625 where: short stacking energy: -693.535 Base-Backbone interact. energy: -4.162 local terms energy: -798.371765 where: bonds (distance) C4'-P energy: -152.820 bonds (distance) P-C4' energy: -156.773 flat angles C4'-P-C4' energy: -167.682 flat angles P-C4'-P energy: -118.772 tors. eta vs tors. theta energy: -202.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2213.949903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.949903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.949903 (E_RNA) where: Base-Base interactions energy: -1448.540 where: short stacking energy: -629.375 Base-Backbone interact. energy: -3.777 local terms energy: -761.632659 where: bonds (distance) C4'-P energy: -150.177 bonds (distance) P-C4' energy: -162.695 flat angles C4'-P-C4' energy: -179.651 flat angles P-C4'-P energy: -111.037 tors. eta vs tors. theta energy: -158.072 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: 5, replica: 4 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2004.656908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.656908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.656908 (E_RNA) where: Base-Base interactions energy: -1314.194 where: short stacking energy: -627.462 Base-Backbone interact. energy: 4.009 local terms energy: -694.471250 where: bonds (distance) C4'-P energy: -123.660 bonds (distance) P-C4' energy: -135.268 flat angles C4'-P-C4' energy: -171.916 flat angles P-C4'-P energy: -85.474 tors. eta vs tors. theta energy: -178.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1958.649503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.649503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.649503 (E_RNA) where: Base-Base interactions energy: -1271.509 where: short stacking energy: -585.416 Base-Backbone interact. energy: -3.854 local terms energy: -683.286907 where: bonds (distance) C4'-P energy: -139.321 bonds (distance) P-C4' energy: -146.085 flat angles C4'-P-C4' energy: -157.006 flat angles P-C4'-P energy: -102.903 tors. eta vs tors. theta energy: -137.972 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: 2 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1918.052360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.052360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.052360 (E_RNA) where: Base-Base interactions energy: -1284.566 where: short stacking energy: -573.367 Base-Backbone interact. energy: -2.663 local terms energy: -630.823444 where: bonds (distance) C4'-P energy: -125.830 bonds (distance) P-C4' energy: -117.346 flat angles C4'-P-C4' energy: -155.382 flat angles P-C4'-P energy: -101.942 tors. eta vs tors. theta energy: -130.324 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: 8 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1178.589719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.589719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.589719 (E_RNA) where: Base-Base interactions energy: -681.483 where: short stacking energy: -341.035 Base-Backbone interact. energy: 6.912 local terms energy: -504.018218 where: bonds (distance) C4'-P energy: -123.197 bonds (distance) P-C4' energy: -138.114 flat angles C4'-P-C4' energy: -130.221 flat angles P-C4'-P energy: -79.261 tors. eta vs tors. theta energy: -33.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -861.772950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.772950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.772950 (E_RNA) where: Base-Base interactions energy: -399.984 where: short stacking energy: -250.797 Base-Backbone interact. energy: -3.560 local terms energy: -458.229215 where: bonds (distance) C4'-P energy: -119.423 bonds (distance) P-C4' energy: -151.265 flat angles C4'-P-C4' energy: -128.550 flat angles P-C4'-P energy: -59.350 tors. eta vs tors. theta energy: 0.358 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: 10 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -751.739359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.739359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.739359 (E_RNA) where: Base-Base interactions energy: -354.804 where: short stacking energy: -190.722 Base-Backbone interact. energy: -0.865 local terms energy: -396.070069 where: bonds (distance) C4'-P energy: -121.689 bonds (distance) P-C4' energy: -108.823 flat angles C4'-P-C4' energy: -122.658 flat angles P-C4'-P energy: -67.248 tors. eta vs tors. theta energy: 24.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2678.209970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.209970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.209970 (E_RNA) where: Base-Base interactions energy: -1834.418 where: short stacking energy: -773.146 Base-Backbone interact. energy: -0.125 local terms energy: -843.666801 where: bonds (distance) C4'-P energy: -168.094 bonds (distance) P-C4' energy: -178.968 flat angles C4'-P-C4' energy: -164.605 flat angles P-C4'-P energy: -120.705 tors. eta vs tors. theta energy: -211.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2515.450055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.450055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.450055 (E_RNA) where: Base-Base interactions energy: -1704.969 where: short stacking energy: -758.696 Base-Backbone interact. energy: -1.933 local terms energy: -808.547384 where: bonds (distance) C4'-P energy: -139.117 bonds (distance) P-C4' energy: -162.573 flat angles C4'-P-C4' energy: -176.186 flat angles P-C4'-P energy: -119.766 tors. eta vs tors. theta energy: -210.905 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: 6 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2398.896920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.896920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.896920 (E_RNA) where: Base-Base interactions energy: -1616.291 where: short stacking energy: -743.045 Base-Backbone interact. energy: -5.708 local terms energy: -776.898154 where: bonds (distance) C4'-P energy: -150.028 bonds (distance) P-C4' energy: -135.194 flat angles C4'-P-C4' energy: -178.452 flat angles P-C4'-P energy: -109.126 tors. eta vs tors. theta energy: -204.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2256.903279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.903279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.903279 (E_RNA) where: Base-Base interactions energy: -1503.752 where: short stacking energy: -661.887 Base-Backbone interact. energy: -6.004 local terms energy: -747.146607 where: bonds (distance) C4'-P energy: -159.743 bonds (distance) P-C4' energy: -147.766 flat angles C4'-P-C4' energy: -151.973 flat angles P-C4'-P energy: -118.185 tors. eta vs tors. theta energy: -169.479 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: 4 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2034.324985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.324985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.324985 (E_RNA) where: Base-Base interactions energy: -1346.227 where: short stacking energy: -579.986 Base-Backbone interact. energy: -1.669 local terms energy: -686.428496 where: bonds (distance) C4'-P energy: -151.153 bonds (distance) P-C4' energy: -138.930 flat angles C4'-P-C4' energy: -152.765 flat angles P-C4'-P energy: -94.735 tors. eta vs tors. theta energy: -148.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -2002.221532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.221532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.221532 (E_RNA) where: Base-Base interactions energy: -1333.817 where: short stacking energy: -588.637 Base-Backbone interact. energy: -3.152 local terms energy: -665.252964 where: bonds (distance) C4'-P energy: -138.949 bonds (distance) P-C4' energy: -137.378 flat angles C4'-P-C4' energy: -155.370 flat angles P-C4'-P energy: -88.076 tors. eta vs tors. theta energy: -145.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1817.826527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.826527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.826527 (E_RNA) where: Base-Base interactions energy: -1148.640 where: short stacking energy: -524.338 Base-Backbone interact. energy: -0.115 local terms energy: -669.071890 where: bonds (distance) C4'-P energy: -157.832 bonds (distance) P-C4' energy: -136.489 flat angles C4'-P-C4' energy: -160.453 flat angles P-C4'-P energy: -96.793 tors. eta vs tors. theta energy: -117.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1134.146382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.146382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.146382 (E_RNA) where: Base-Base interactions energy: -647.404 where: short stacking energy: -303.759 Base-Backbone interact. energy: 1.499 local terms energy: -488.240885 where: bonds (distance) C4'-P energy: -126.692 bonds (distance) P-C4' energy: -152.563 flat angles C4'-P-C4' energy: -130.597 flat angles P-C4'-P energy: -69.899 tors. eta vs tors. theta energy: -8.489 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: 7 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -790.003276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.003276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.003276 (E_RNA) where: Base-Base interactions energy: -360.278 where: short stacking energy: -211.645 Base-Backbone interact. energy: -1.921 local terms energy: -427.804282 where: bonds (distance) C4'-P energy: -115.345 bonds (distance) P-C4' energy: -151.778 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -65.115 tors. eta vs tors. theta energy: 19.707 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: 10 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -582.345068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.345068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.345068 (E_RNA) where: Base-Base interactions energy: -185.917 where: short stacking energy: -167.607 Base-Backbone interact. energy: 3.615 local terms energy: -400.043521 where: bonds (distance) C4'-P energy: -141.316 bonds (distance) P-C4' energy: -122.709 flat angles C4'-P-C4' energy: -100.052 flat angles P-C4'-P energy: -65.709 tors. eta vs tors. theta energy: 29.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2674.409159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.409159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.409159 (E_RNA) where: Base-Base interactions energy: -1826.805 where: short stacking energy: -793.828 Base-Backbone interact. energy: -0.065 local terms energy: -847.538410 where: bonds (distance) C4'-P energy: -163.893 bonds (distance) P-C4' energy: -157.276 flat angles C4'-P-C4' energy: -188.448 flat angles P-C4'-P energy: -113.370 tors. eta vs tors. theta energy: -224.552 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: 1 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2534.690027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.690027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.690027 (E_RNA) where: Base-Base interactions energy: -1702.738 where: short stacking energy: -769.947 Base-Backbone interact. energy: -3.117 local terms energy: -828.835114 where: bonds (distance) C4'-P energy: -148.267 bonds (distance) P-C4' energy: -148.554 flat angles C4'-P-C4' energy: -177.729 flat angles P-C4'-P energy: -122.728 tors. eta vs tors. theta energy: -231.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2440.281557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.281557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.281557 (E_RNA) where: Base-Base interactions energy: -1668.571 where: short stacking energy: -732.822 Base-Backbone interact. energy: -1.107 local terms energy: -770.603794 where: bonds (distance) C4'-P energy: -155.376 bonds (distance) P-C4' energy: -146.621 flat angles C4'-P-C4' energy: -163.175 flat angles P-C4'-P energy: -101.682 tors. eta vs tors. theta energy: -203.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2245.369828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.369828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.369828 (E_RNA) where: Base-Base interactions energy: -1495.629 where: short stacking energy: -651.313 Base-Backbone interact. energy: -7.990 local terms energy: -741.750801 where: bonds (distance) C4'-P energy: -129.833 bonds (distance) P-C4' energy: -164.292 flat angles C4'-P-C4' energy: -166.949 flat angles P-C4'-P energy: -102.298 tors. eta vs tors. theta energy: -178.378 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: 5, replica: 5 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2057.590300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.590300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.590300 (E_RNA) where: Base-Base interactions energy: -1359.139 where: short stacking energy: -590.194 Base-Backbone interact. energy: -2.981 local terms energy: -695.470690 where: bonds (distance) C4'-P energy: -134.565 bonds (distance) P-C4' energy: -145.352 flat angles C4'-P-C4' energy: -158.358 flat angles P-C4'-P energy: -108.668 tors. eta vs tors. theta energy: -148.527 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: 4 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1945.667588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.667588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.667588 (E_RNA) where: Base-Base interactions energy: -1273.920 where: short stacking energy: -587.353 Base-Backbone interact. energy: -2.584 local terms energy: -669.164418 where: bonds (distance) C4'-P energy: -139.215 bonds (distance) P-C4' energy: -147.145 flat angles C4'-P-C4' energy: -152.152 flat angles P-C4'-P energy: -91.772 tors. eta vs tors. theta energy: -138.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1751.787499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.787499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.787499 (E_RNA) where: Base-Base interactions energy: -1150.070 where: short stacking energy: -496.401 Base-Backbone interact. energy: -3.313 local terms energy: -598.404705 where: bonds (distance) C4'-P energy: -118.664 bonds (distance) P-C4' energy: -130.593 flat angles C4'-P-C4' energy: -143.018 flat angles P-C4'-P energy: -97.002 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: 8, replica: 8 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1184.705345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.705345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.705345 (E_RNA) where: Base-Base interactions energy: -661.051 where: short stacking energy: -333.497 Base-Backbone interact. energy: 3.245 local terms energy: -526.900142 where: bonds (distance) C4'-P energy: -124.055 bonds (distance) P-C4' energy: -135.499 flat angles C4'-P-C4' energy: -138.225 flat angles P-C4'-P energy: -85.934 tors. eta vs tors. theta energy: -43.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -814.361962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.361962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.361962 (E_RNA) where: Base-Base interactions energy: -382.149 where: short stacking energy: -235.285 Base-Backbone interact. energy: -2.189 local terms energy: -430.024078 where: bonds (distance) C4'-P energy: -118.603 bonds (distance) P-C4' energy: -136.506 flat angles C4'-P-C4' energy: -123.884 flat angles P-C4'-P energy: -72.683 tors. eta vs tors. theta energy: 21.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -604.751679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.751679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.751679 (E_RNA) where: Base-Base interactions energy: -251.427 where: short stacking energy: -194.146 Base-Backbone interact. energy: -0.029 local terms energy: -353.295687 where: bonds (distance) C4'-P energy: -117.002 bonds (distance) P-C4' energy: -140.028 flat angles C4'-P-C4' energy: -96.144 flat angles P-C4'-P energy: -35.003 tors. eta vs tors. theta energy: 34.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2663.211927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.211927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.211927 (E_RNA) where: Base-Base interactions energy: -1818.568 where: short stacking energy: -774.932 Base-Backbone interact. energy: -1.980 local terms energy: -842.664455 where: bonds (distance) C4'-P energy: -165.730 bonds (distance) P-C4' energy: -166.045 flat angles C4'-P-C4' energy: -163.373 flat angles P-C4'-P energy: -118.518 tors. eta vs tors. theta energy: -228.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2499.846920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.846920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.846920 (E_RNA) where: Base-Base interactions energy: -1689.964 where: short stacking energy: -769.720 Base-Backbone interact. energy: 1.807 local terms energy: -811.689913 where: bonds (distance) C4'-P energy: -168.630 bonds (distance) P-C4' energy: -148.796 flat angles C4'-P-C4' energy: -168.023 flat angles P-C4'-P energy: -117.565 tors. eta vs tors. theta energy: -208.676 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: 3, replica: 6 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2460.291907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.291907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.291907 (E_RNA) where: Base-Base interactions energy: -1653.397 where: short stacking energy: -751.767 Base-Backbone interact. energy: -2.482 local terms energy: -804.412467 where: bonds (distance) C4'-P energy: -151.178 bonds (distance) P-C4' energy: -154.498 flat angles C4'-P-C4' energy: -175.853 flat angles P-C4'-P energy: -105.161 tors. eta vs tors. theta energy: -217.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2281.542712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.542712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.542712 (E_RNA) where: Base-Base interactions energy: -1526.688 where: short stacking energy: -672.626 Base-Backbone interact. energy: -6.337 local terms energy: -748.517627 where: bonds (distance) C4'-P energy: -158.073 bonds (distance) P-C4' energy: -140.643 flat angles C4'-P-C4' energy: -164.342 flat angles P-C4'-P energy: -109.221 tors. eta vs tors. theta energy: -176.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2039.807937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.807937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.807937 (E_RNA) where: Base-Base interactions energy: -1378.704 where: short stacking energy: -584.479 Base-Backbone interact. energy: -4.282 local terms energy: -656.821492 where: bonds (distance) C4'-P energy: -134.768 bonds (distance) P-C4' energy: -138.538 flat angles C4'-P-C4' energy: -153.047 flat angles P-C4'-P energy: -90.407 tors. eta vs tors. theta energy: -140.061 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: 6, replica: 4 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1917.756960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.756960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.756960 (E_RNA) where: Base-Base interactions energy: -1251.995 where: short stacking energy: -553.029 Base-Backbone interact. energy: -1.862 local terms energy: -663.899403 where: bonds (distance) C4'-P energy: -124.892 bonds (distance) P-C4' energy: -143.748 flat angles C4'-P-C4' energy: -156.907 flat angles P-C4'-P energy: -104.093 tors. eta vs tors. theta energy: -134.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1765.540980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.540980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.540980 (E_RNA) where: Base-Base interactions energy: -1124.976 where: short stacking energy: -500.922 Base-Backbone interact. energy: 4.411 local terms energy: -644.975747 where: bonds (distance) C4'-P energy: -144.638 bonds (distance) P-C4' energy: -138.590 flat angles C4'-P-C4' energy: -158.476 flat angles P-C4'-P energy: -89.506 tors. eta vs tors. theta energy: -113.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1229.241847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.241847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.241847 (E_RNA) where: Base-Base interactions energy: -692.066 where: short stacking energy: -359.073 Base-Backbone interact. energy: -0.648 local terms energy: -536.528316 where: bonds (distance) C4'-P energy: -127.299 bonds (distance) P-C4' energy: -150.628 flat angles C4'-P-C4' energy: -135.892 flat angles P-C4'-P energy: -86.782 tors. eta vs tors. theta energy: -35.928 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: 9, replica: 7 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -837.939158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.939158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.939158 (E_RNA) where: Base-Base interactions energy: -405.329 where: short stacking energy: -247.968 Base-Backbone interact. energy: 1.143 local terms energy: -433.752597 where: bonds (distance) C4'-P energy: -111.943 bonds (distance) P-C4' energy: -146.508 flat angles C4'-P-C4' energy: -129.285 flat angles P-C4'-P energy: -66.535 tors. eta vs tors. theta energy: 20.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -619.371754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.371754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.371754 (E_RNA) where: Base-Base interactions energy: -237.903 where: short stacking energy: -183.348 Base-Backbone interact. energy: 1.338 local terms energy: -382.806130 where: bonds (distance) C4'-P energy: -114.016 bonds (distance) P-C4' energy: -130.977 flat angles C4'-P-C4' energy: -106.588 flat angles P-C4'-P energy: -60.285 tors. eta vs tors. theta energy: 29.059 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: 3 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2706.126063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.126063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.126063 (E_RNA) where: Base-Base interactions energy: -1875.064 where: short stacking energy: -789.554 Base-Backbone interact. energy: -1.601 local terms energy: -829.460491 where: bonds (distance) C4'-P energy: -144.143 bonds (distance) P-C4' energy: -147.671 flat angles C4'-P-C4' energy: -178.829 flat angles P-C4'-P energy: -134.822 tors. eta vs tors. theta energy: -223.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2510.826381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.826381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.826381 (E_RNA) where: Base-Base interactions energy: -1644.384 where: short stacking energy: -752.423 Base-Backbone interact. energy: -0.988 local terms energy: -865.455294 where: bonds (distance) C4'-P energy: -167.540 bonds (distance) P-C4' energy: -173.099 flat angles C4'-P-C4' energy: -194.330 flat angles P-C4'-P energy: -116.198 tors. eta vs tors. theta energy: -214.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2489.949149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.949149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.949149 (E_RNA) where: Base-Base interactions energy: -1656.633 where: short stacking energy: -736.515 Base-Backbone interact. energy: -5.535 local terms energy: -827.780600 where: bonds (distance) C4'-P energy: -167.797 bonds (distance) P-C4' energy: -146.847 flat angles C4'-P-C4' energy: -182.115 flat angles P-C4'-P energy: -109.154 tors. eta vs tors. theta energy: -221.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2317.108468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.108468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.108468 (E_RNA) where: Base-Base interactions energy: -1568.762 where: short stacking energy: -688.300 Base-Backbone interact. energy: -0.895 local terms energy: -747.451431 where: bonds (distance) C4'-P energy: -148.801 bonds (distance) P-C4' energy: -157.716 flat angles C4'-P-C4' energy: -154.928 flat angles P-C4'-P energy: -104.096 tors. eta vs tors. theta energy: -181.910 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: 5, replica: 5 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2078.767964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.767964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.767964 (E_RNA) where: Base-Base interactions energy: -1408.059 where: short stacking energy: -617.366 Base-Backbone interact. energy: 0.817 local terms energy: -671.526084 where: bonds (distance) C4'-P energy: -116.341 bonds (distance) P-C4' energy: -144.221 flat angles C4'-P-C4' energy: -164.107 flat angles P-C4'-P energy: -105.885 tors. eta vs tors. theta energy: -140.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1931.343247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.343247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.343247 (E_RNA) where: Base-Base interactions energy: -1256.534 where: short stacking energy: -580.819 Base-Backbone interact. energy: 1.896 local terms energy: -676.705970 where: bonds (distance) C4'-P energy: -140.704 bonds (distance) P-C4' energy: -140.967 flat angles C4'-P-C4' energy: -157.739 flat angles P-C4'-P energy: -99.149 tors. eta vs tors. theta energy: -138.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1818.994714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.994714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.994714 (E_RNA) where: Base-Base interactions energy: -1164.785 where: short stacking energy: -504.027 Base-Backbone interact. energy: 1.191 local terms energy: -655.400600 where: bonds (distance) C4'-P energy: -152.526 bonds (distance) P-C4' energy: -135.023 flat angles C4'-P-C4' energy: -144.606 flat angles P-C4'-P energy: -116.686 tors. eta vs tors. theta energy: -106.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1343.771032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.771032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.771032 (E_RNA) where: Base-Base interactions energy: -781.903 where: short stacking energy: -398.680 Base-Backbone interact. energy: -1.906 local terms energy: -559.962506 where: bonds (distance) C4'-P energy: -149.384 bonds (distance) P-C4' energy: -138.095 flat angles C4'-P-C4' energy: -131.895 flat angles P-C4'-P energy: -77.523 tors. eta vs tors. theta energy: -63.065 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: 10 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -718.835333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.835333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.835333 (E_RNA) where: Base-Base interactions energy: -248.514 where: short stacking energy: -217.903 Base-Backbone interact. energy: -1.846 local terms energy: -468.475208 where: bonds (distance) C4'-P energy: -147.642 bonds (distance) P-C4' energy: -151.786 flat angles C4'-P-C4' energy: -104.854 flat angles P-C4'-P energy: -77.987 tors. eta vs tors. theta energy: 13.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -754.643052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.643052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.643052 (E_RNA) where: Base-Base interactions energy: -330.846 where: short stacking energy: -205.255 Base-Backbone interact. energy: 9.259 local terms energy: -433.056567 where: bonds (distance) C4'-P energy: -138.051 bonds (distance) P-C4' energy: -146.063 flat angles C4'-P-C4' energy: -116.895 flat angles P-C4'-P energy: -59.602 tors. eta vs tors. theta energy: 27.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2704.623183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.623183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.623183 (E_RNA) where: Base-Base interactions energy: -1833.035 where: short stacking energy: -787.211 Base-Backbone interact. energy: -5.342 local terms energy: -866.246220 where: bonds (distance) C4'-P energy: -164.979 bonds (distance) P-C4' energy: -156.042 flat angles C4'-P-C4' energy: -188.993 flat angles P-C4'-P energy: -133.843 tors. eta vs tors. theta energy: -222.388 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: 6 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2553.843605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.843605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.843605 (E_RNA) where: Base-Base interactions energy: -1708.476 where: short stacking energy: -766.968 Base-Backbone interact. energy: -5.217 local terms energy: -840.149789 where: bonds (distance) C4'-P energy: -167.191 bonds (distance) P-C4' energy: -161.514 flat angles C4'-P-C4' energy: -182.700 flat angles P-C4'-P energy: -114.652 tors. eta vs tors. theta energy: -214.092 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: 1 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2437.320117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.320117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.320117 (E_RNA) where: Base-Base interactions energy: -1641.757 where: short stacking energy: -742.127 Base-Backbone interact. energy: -2.370 local terms energy: -793.192520 where: bonds (distance) C4'-P energy: -147.028 bonds (distance) P-C4' energy: -154.414 flat angles C4'-P-C4' energy: -171.441 flat angles P-C4'-P energy: -107.904 tors. eta vs tors. theta energy: -212.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2267.401003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.401003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.401003 (E_RNA) where: Base-Base interactions energy: -1530.274 where: short stacking energy: -674.177 Base-Backbone interact. energy: 5.107 local terms energy: -742.234556 where: bonds (distance) C4'-P energy: -151.245 bonds (distance) P-C4' energy: -149.411 flat angles C4'-P-C4' energy: -166.706 flat angles P-C4'-P energy: -107.831 tors. eta vs tors. theta energy: -167.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2130.811029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.811029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.811029 (E_RNA) where: Base-Base interactions energy: -1389.810 where: short stacking energy: -599.328 Base-Backbone interact. energy: -3.607 local terms energy: -737.394239 where: bonds (distance) C4'-P energy: -160.097 bonds (distance) P-C4' energy: -166.560 flat angles C4'-P-C4' energy: -159.839 flat angles P-C4'-P energy: -110.171 tors. eta vs tors. theta energy: -140.727 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: 185 Temperature: 1.150000 Total energy: -1984.540129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.540129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.540129 (E_RNA) where: Base-Base interactions energy: -1291.310 where: short stacking energy: -594.357 Base-Backbone interact. energy: -1.600 local terms energy: -691.629553 where: bonds (distance) C4'-P energy: -143.563 bonds (distance) P-C4' energy: -140.322 flat angles C4'-P-C4' energy: -170.193 flat angles P-C4'-P energy: -99.526 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: 7, replica: 2 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1813.281238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.281238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.281238 (E_RNA) where: Base-Base interactions energy: -1194.615 where: short stacking energy: -491.763 Base-Backbone interact. energy: -0.862 local terms energy: -617.803889 where: bonds (distance) C4'-P energy: -124.119 bonds (distance) P-C4' energy: -143.185 flat angles C4'-P-C4' energy: -143.651 flat angles P-C4'-P energy: -93.209 tors. eta vs tors. theta energy: -113.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1347.969941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.969941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.969941 (E_RNA) where: Base-Base interactions energy: -806.641 where: short stacking energy: -381.018 Base-Backbone interact. energy: 0.993 local terms energy: -542.322493 where: bonds (distance) C4'-P energy: -149.537 bonds (distance) P-C4' energy: -130.506 flat angles C4'-P-C4' energy: -121.357 flat angles P-C4'-P energy: -97.856 tors. eta vs tors. theta energy: -43.066 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: 10 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -758.095634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.095634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.095634 (E_RNA) where: Base-Base interactions energy: -295.194 where: short stacking energy: -235.080 Base-Backbone interact. energy: -3.152 local terms energy: -459.749065 where: bonds (distance) C4'-P energy: -129.242 bonds (distance) P-C4' energy: -129.790 flat angles C4'-P-C4' energy: -117.849 flat angles P-C4'-P energy: -63.922 tors. eta vs tors. theta energy: -18.946 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: 7 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -703.357036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.357036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.357036 (E_RNA) where: Base-Base interactions energy: -314.718 where: short stacking energy: -170.649 Base-Backbone interact. energy: 1.903 local terms energy: -390.542348 where: bonds (distance) C4'-P energy: -128.724 bonds (distance) P-C4' energy: -131.668 flat angles C4'-P-C4' energy: -123.531 flat angles P-C4'-P energy: -43.159 tors. eta vs tors. theta energy: 36.541 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: 3 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2671.094424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.094424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.094424 (E_RNA) where: Base-Base interactions energy: -1801.010 where: short stacking energy: -780.997 Base-Backbone interact. energy: 1.197 local terms energy: -871.281398 where: bonds (distance) C4'-P energy: -166.908 bonds (distance) P-C4' energy: -166.427 flat angles C4'-P-C4' energy: -186.321 flat angles P-C4'-P energy: -122.983 tors. eta vs tors. theta energy: -228.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2554.665937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.665937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.665937 (E_RNA) where: Base-Base interactions energy: -1727.460 where: short stacking energy: -793.542 Base-Backbone interact. energy: 4.565 local terms energy: -831.771621 where: bonds (distance) C4'-P energy: -147.009 bonds (distance) P-C4' energy: -148.380 flat angles C4'-P-C4' energy: -187.528 flat angles P-C4'-P energy: -119.666 tors. eta vs tors. theta energy: -229.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2420.279978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.279978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.279978 (E_RNA) where: Base-Base interactions energy: -1596.588 where: short stacking energy: -734.643 Base-Backbone interact. energy: 0.725 local terms energy: -824.417190 where: bonds (distance) C4'-P energy: -159.279 bonds (distance) P-C4' energy: -153.623 flat angles C4'-P-C4' energy: -176.640 flat angles P-C4'-P energy: -120.669 tors. eta vs tors. theta energy: -214.206 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: 4, replica: 9 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2225.804794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.804794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.804794 (E_RNA) where: Base-Base interactions energy: -1524.292 where: short stacking energy: -694.418 Base-Backbone interact. energy: -4.429 local terms energy: -697.084371 where: bonds (distance) C4'-P energy: -135.074 bonds (distance) P-C4' energy: -137.971 flat angles C4'-P-C4' energy: -153.828 flat angles P-C4'-P energy: -101.989 tors. eta vs tors. theta energy: -168.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2089.445944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.445944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.445944 (E_RNA) where: Base-Base interactions energy: -1389.423 where: short stacking energy: -605.103 Base-Backbone interact. energy: 0.767 local terms energy: -700.790494 where: bonds (distance) C4'-P energy: -125.896 bonds (distance) P-C4' energy: -154.044 flat angles C4'-P-C4' energy: -170.020 flat angles P-C4'-P energy: -101.986 tors. eta vs tors. theta energy: -148.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1913.178166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.178166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.178166 (E_RNA) where: Base-Base interactions energy: -1243.280 where: short stacking energy: -522.703 Base-Backbone interact. energy: -1.376 local terms energy: -668.521431 where: bonds (distance) C4'-P energy: -129.197 bonds (distance) P-C4' energy: -151.569 flat angles C4'-P-C4' energy: -154.784 flat angles P-C4'-P energy: -104.757 tors. eta vs tors. theta energy: -128.215 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: 2 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1809.932145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.932145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.932145 (E_RNA) where: Base-Base interactions energy: -1171.912 where: short stacking energy: -534.902 Base-Backbone interact. energy: 1.945 local terms energy: -639.964670 where: bonds (distance) C4'-P energy: -130.605 bonds (distance) P-C4' energy: -144.098 flat angles C4'-P-C4' energy: -151.489 flat angles P-C4'-P energy: -90.889 tors. eta vs tors. theta energy: -122.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1326.779996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.779996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.779996 (E_RNA) where: Base-Base interactions energy: -804.487 where: short stacking energy: -351.954 Base-Backbone interact. energy: 3.955 local terms energy: -526.247987 where: bonds (distance) C4'-P energy: -139.847 bonds (distance) P-C4' energy: -140.815 flat angles C4'-P-C4' energy: -126.378 flat angles P-C4'-P energy: -63.562 tors. eta vs tors. theta energy: -55.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -740.830799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.830799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.830799 (E_RNA) where: Base-Base interactions energy: -256.605 where: short stacking energy: -198.699 Base-Backbone interact. energy: 1.305 local terms energy: -485.531356 where: bonds (distance) C4'-P energy: -135.758 bonds (distance) P-C4' energy: -146.422 flat angles C4'-P-C4' energy: -118.940 flat angles P-C4'-P energy: -72.888 tors. eta vs tors. theta energy: -11.524 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: 7 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -605.407868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.407868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.407868 (E_RNA) where: Base-Base interactions energy: -228.854 where: short stacking energy: -178.403 Base-Backbone interact. energy: -1.814 local terms energy: -374.739223 where: bonds (distance) C4'-P energy: -134.720 bonds (distance) P-C4' energy: -105.685 flat angles C4'-P-C4' energy: -96.961 flat angles P-C4'-P energy: -57.746 tors. eta vs tors. theta energy: 20.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2679.396703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.396703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.396703 (E_RNA) where: Base-Base interactions energy: -1823.814 where: short stacking energy: -793.761 Base-Backbone interact. energy: -3.481 local terms energy: -852.101193 where: bonds (distance) C4'-P energy: -156.127 bonds (distance) P-C4' energy: -155.858 flat angles C4'-P-C4' energy: -176.095 flat angles P-C4'-P energy: -137.515 tors. eta vs tors. theta energy: -226.505 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: 6 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2539.271262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.271262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.271262 (E_RNA) where: Base-Base interactions energy: -1726.229 where: short stacking energy: -789.870 Base-Backbone interact. energy: -2.636 local terms energy: -810.406803 where: bonds (distance) C4'-P energy: -154.740 bonds (distance) P-C4' energy: -152.736 flat angles C4'-P-C4' energy: -173.012 flat angles P-C4'-P energy: -114.819 tors. eta vs tors. theta energy: -215.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2415.602545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.602545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.602545 (E_RNA) where: Base-Base interactions energy: -1606.002 where: short stacking energy: -725.755 Base-Backbone interact. energy: -2.344 local terms energy: -807.255972 where: bonds (distance) C4'-P energy: -146.944 bonds (distance) P-C4' energy: -159.418 flat angles C4'-P-C4' energy: -175.701 flat angles P-C4'-P energy: -130.072 tors. eta vs tors. theta energy: -195.121 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: 9 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2162.526083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.526083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.526083 (E_RNA) where: Base-Base interactions energy: -1451.851 where: short stacking energy: -651.793 Base-Backbone interact. energy: 4.837 local terms energy: -715.512013 where: bonds (distance) C4'-P energy: -152.859 bonds (distance) P-C4' energy: -157.218 flat angles C4'-P-C4' energy: -158.837 flat angles P-C4'-P energy: -100.908 tors. eta vs tors. theta energy: -145.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2087.866623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.866623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.866623 (E_RNA) where: Base-Base interactions energy: -1377.275 where: short stacking energy: -579.204 Base-Backbone interact. energy: -3.290 local terms energy: -707.301841 where: bonds (distance) C4'-P energy: -140.231 bonds (distance) P-C4' energy: -146.462 flat angles C4'-P-C4' energy: -162.253 flat angles P-C4'-P energy: -117.015 tors. eta vs tors. theta energy: -141.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1927.384851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.384851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.384851 (E_RNA) where: Base-Base interactions energy: -1269.431 where: short stacking energy: -570.694 Base-Backbone interact. energy: -3.892 local terms energy: -654.061789 where: bonds (distance) C4'-P energy: -138.036 bonds (distance) P-C4' energy: -140.628 flat angles C4'-P-C4' energy: -148.473 flat angles P-C4'-P energy: -95.592 tors. eta vs tors. theta energy: -131.333 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: 4 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1890.454946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.454946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.454946 (E_RNA) where: Base-Base interactions energy: -1233.403 where: short stacking energy: -553.091 Base-Backbone interact. energy: -2.469 local terms energy: -654.583364 where: bonds (distance) C4'-P energy: -132.939 bonds (distance) P-C4' energy: -156.696 flat angles C4'-P-C4' energy: -152.611 flat angles P-C4'-P energy: -82.062 tors. eta vs tors. theta energy: -130.275 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: 8 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1333.954203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.954203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.954203 (E_RNA) where: Base-Base interactions energy: -790.689 where: short stacking energy: -400.617 Base-Backbone interact. energy: 2.440 local terms energy: -545.704516 where: bonds (distance) C4'-P energy: -131.125 bonds (distance) P-C4' energy: -145.578 flat angles C4'-P-C4' energy: -123.392 flat angles P-C4'-P energy: -77.574 tors. eta vs tors. theta energy: -68.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -753.741573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.741573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.741573 (E_RNA) where: Base-Base interactions energy: -318.149 where: short stacking energy: -250.606 Base-Backbone interact. energy: 3.788 local terms energy: -439.380837 where: bonds (distance) C4'-P energy: -133.824 bonds (distance) P-C4' energy: -128.075 flat angles C4'-P-C4' energy: -109.927 flat angles P-C4'-P energy: -70.955 tors. eta vs tors. theta energy: 3.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -658.521204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.521204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.521204 (E_RNA) where: Base-Base interactions energy: -290.614 where: short stacking energy: -207.541 Base-Backbone interact. energy: 3.060 local terms energy: -370.966921 where: bonds (distance) C4'-P energy: -109.850 bonds (distance) P-C4' energy: -135.805 flat angles C4'-P-C4' energy: -89.364 flat angles P-C4'-P energy: -57.884 tors. eta vs tors. theta energy: 21.937 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: 3 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2702.723793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.723793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.723793 (E_RNA) where: Base-Base interactions energy: -1839.439 where: short stacking energy: -792.746 Base-Backbone interact. energy: -3.225 local terms energy: -860.059948 where: bonds (distance) C4'-P energy: -168.621 bonds (distance) P-C4' energy: -161.901 flat angles C4'-P-C4' energy: -181.302 flat angles P-C4'-P energy: -124.887 tors. eta vs tors. theta energy: -223.348 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: 6 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2514.285512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.285512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.285512 (E_RNA) where: Base-Base interactions energy: -1724.677 where: short stacking energy: -751.794 Base-Backbone interact. energy: 4.300 local terms energy: -793.909402 where: bonds (distance) C4'-P energy: -146.660 bonds (distance) P-C4' energy: -162.367 flat angles C4'-P-C4' energy: -176.068 flat angles P-C4'-P energy: -107.143 tors. eta vs tors. theta energy: -201.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2382.686635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.686635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.686635 (E_RNA) where: Base-Base interactions energy: -1589.179 where: short stacking energy: -694.225 Base-Backbone interact. energy: -3.393 local terms energy: -790.114652 where: bonds (distance) C4'-P energy: -150.218 bonds (distance) P-C4' energy: -175.796 flat angles C4'-P-C4' energy: -164.983 flat angles P-C4'-P energy: -101.888 tors. eta vs tors. theta energy: -197.230 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: 9 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2193.385416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.385416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.385416 (E_RNA) where: Base-Base interactions energy: -1480.160 where: short stacking energy: -649.434 Base-Backbone interact. energy: -4.678 local terms energy: -708.547184 where: bonds (distance) C4'-P energy: -144.275 bonds (distance) P-C4' energy: -135.276 flat angles C4'-P-C4' energy: -158.964 flat angles P-C4'-P energy: -96.254 tors. eta vs tors. theta energy: -173.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2073.213926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.213926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.213926 (E_RNA) where: Base-Base interactions energy: -1392.867 where: short stacking energy: -601.225 Base-Backbone interact. energy: -4.097 local terms energy: -676.249926 where: bonds (distance) C4'-P energy: -132.549 bonds (distance) P-C4' energy: -142.227 flat angles C4'-P-C4' energy: -163.354 flat angles P-C4'-P energy: -103.971 tors. eta vs tors. theta energy: -134.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1963.913698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.913698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.913698 (E_RNA) where: Base-Base interactions energy: -1276.290 where: short stacking energy: -568.139 Base-Backbone interact. energy: -6.015 local terms energy: -681.608804 where: bonds (distance) C4'-P energy: -129.672 bonds (distance) P-C4' energy: -140.876 flat angles C4'-P-C4' energy: -164.772 flat angles P-C4'-P energy: -98.780 tors. eta vs tors. theta energy: -147.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1843.175407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.175407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.175407 (E_RNA) where: Base-Base interactions energy: -1210.704 where: short stacking energy: -553.569 Base-Backbone interact. energy: -3.307 local terms energy: -629.164967 where: bonds (distance) C4'-P energy: -132.476 bonds (distance) P-C4' energy: -153.671 flat angles C4'-P-C4' energy: -143.110 flat angles P-C4'-P energy: -82.091 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: 8, replica: 8 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1226.004952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.004952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.004952 (E_RNA) where: Base-Base interactions energy: -702.862 where: short stacking energy: -365.694 Base-Backbone interact. energy: 2.368 local terms energy: -525.510726 where: bonds (distance) C4'-P energy: -123.958 bonds (distance) P-C4' energy: -142.527 flat angles C4'-P-C4' energy: -131.029 flat angles P-C4'-P energy: -78.978 tors. eta vs tors. theta energy: -49.018 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: 188 Temperature: 1.300000 Total energy: -815.555560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.555560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.555560 (E_RNA) where: Base-Base interactions energy: -354.346 where: short stacking energy: -245.833 Base-Backbone interact. energy: -0.487 local terms energy: -460.721788 where: bonds (distance) C4'-P energy: -139.670 bonds (distance) P-C4' energy: -141.813 flat angles C4'-P-C4' energy: -117.863 flat angles P-C4'-P energy: -66.112 tors. eta vs tors. theta energy: 4.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -679.522727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.522727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.522727 (E_RNA) where: Base-Base interactions energy: -281.626 where: short stacking energy: -205.206 Base-Backbone interact. energy: -1.006 local terms energy: -396.890099 where: bonds (distance) C4'-P energy: -128.128 bonds (distance) P-C4' energy: -140.782 flat angles C4'-P-C4' energy: -97.961 flat angles P-C4'-P energy: -61.378 tors. eta vs tors. theta energy: 31.359 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: 3 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2680.781297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.781297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.781297 (E_RNA) where: Base-Base interactions energy: -1832.863 where: short stacking energy: -794.657 Base-Backbone interact. energy: -1.267 local terms energy: -846.651388 where: bonds (distance) C4'-P energy: -161.463 bonds (distance) P-C4' energy: -175.160 flat angles C4'-P-C4' energy: -181.495 flat angles P-C4'-P energy: -113.454 tors. eta vs tors. theta energy: -215.079 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: 6 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2512.251879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.251879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.251879 (E_RNA) where: Base-Base interactions energy: -1698.529 where: short stacking energy: -727.830 Base-Backbone interact. energy: -5.072 local terms energy: -808.650660 where: bonds (distance) C4'-P energy: -163.594 bonds (distance) P-C4' energy: -128.319 flat angles C4'-P-C4' energy: -176.544 flat angles P-C4'-P energy: -125.501 tors. eta vs tors. theta energy: -214.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2396.071403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.071403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.071403 (E_RNA) where: Base-Base interactions energy: -1588.189 where: short stacking energy: -727.491 Base-Backbone interact. energy: -2.898 local terms energy: -804.984257 where: bonds (distance) C4'-P energy: -152.384 bonds (distance) P-C4' energy: -163.803 flat angles C4'-P-C4' energy: -173.599 flat angles P-C4'-P energy: -108.383 tors. eta vs tors. theta energy: -206.815 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: 4, replica: 5 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2252.898261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.898261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.898261 (E_RNA) where: Base-Base interactions energy: -1491.423 where: short stacking energy: -666.819 Base-Backbone interact. energy: -1.349 local terms energy: -760.126462 where: bonds (distance) C4'-P energy: -142.669 bonds (distance) P-C4' energy: -157.202 flat angles C4'-P-C4' energy: -175.898 flat angles P-C4'-P energy: -112.467 tors. eta vs tors. theta energy: -171.890 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: 9 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2092.296244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.296244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.296244 (E_RNA) where: Base-Base interactions energy: -1410.694 where: short stacking energy: -623.639 Base-Backbone interact. energy: 1.391 local terms energy: -682.992817 where: bonds (distance) C4'-P energy: -137.090 bonds (distance) P-C4' energy: -141.640 flat angles C4'-P-C4' energy: -152.827 flat angles P-C4'-P energy: -110.787 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: 6, replica: 2 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1905.531557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.531557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.531557 (E_RNA) where: Base-Base interactions energy: -1232.916 where: short stacking energy: -564.017 Base-Backbone interact. energy: 4.240 local terms energy: -676.855401 where: bonds (distance) C4'-P energy: -155.457 bonds (distance) P-C4' energy: -157.178 flat angles C4'-P-C4' energy: -153.363 flat angles P-C4'-P energy: -82.223 tors. eta vs tors. theta energy: -128.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1784.643037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.643037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.643037 (E_RNA) where: Base-Base interactions energy: -1215.109 where: short stacking energy: -526.517 Base-Backbone interact. energy: -0.214 local terms energy: -569.319898 where: bonds (distance) C4'-P energy: -117.074 bonds (distance) P-C4' energy: -125.122 flat angles C4'-P-C4' energy: -122.721 flat angles P-C4'-P energy: -94.291 tors. eta vs tors. theta energy: -110.112 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: 8 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1308.834985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.834985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.834985 (E_RNA) where: Base-Base interactions energy: -764.295 where: short stacking energy: -387.448 Base-Backbone interact. energy: 1.173 local terms energy: -545.713283 where: bonds (distance) C4'-P energy: -146.513 bonds (distance) P-C4' energy: -142.037 flat angles C4'-P-C4' energy: -127.545 flat angles P-C4'-P energy: -77.802 tors. eta vs tors. theta energy: -51.817 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: 10 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -797.384549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.384549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.384549 (E_RNA) where: Base-Base interactions energy: -357.626 where: short stacking energy: -238.124 Base-Backbone interact. energy: 6.181 local terms energy: -445.939456 where: bonds (distance) C4'-P energy: -135.599 bonds (distance) P-C4' energy: -153.058 flat angles C4'-P-C4' energy: -114.131 flat angles P-C4'-P energy: -43.203 tors. eta vs tors. theta energy: 0.052 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: 10, replica: 7 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -764.892170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.892170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.892170 (E_RNA) where: Base-Base interactions energy: -326.884 where: short stacking energy: -224.889 Base-Backbone interact. energy: 3.459 local terms energy: -441.467248 where: bonds (distance) C4'-P energy: -124.990 bonds (distance) P-C4' energy: -136.624 flat angles C4'-P-C4' energy: -107.284 flat angles P-C4'-P energy: -92.545 tors. eta vs tors. theta energy: 19.976 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: 3 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2633.588394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.588394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.588394 (E_RNA) where: Base-Base interactions energy: -1815.531 where: short stacking energy: -763.981 Base-Backbone interact. energy: -4.621 local terms energy: -813.436633 where: bonds (distance) C4'-P energy: -149.376 bonds (distance) P-C4' energy: -166.075 flat angles C4'-P-C4' energy: -174.370 flat angles P-C4'-P energy: -115.097 tors. eta vs tors. theta energy: -208.519 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: 190 Temperature: 0.950000 Total energy: -2555.560808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.560808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.560808 (E_RNA) where: Base-Base interactions energy: -1725.671 where: short stacking energy: -761.205 Base-Backbone interact. energy: -5.492 local terms energy: -824.397923 where: bonds (distance) C4'-P energy: -136.365 bonds (distance) P-C4' energy: -177.996 flat angles C4'-P-C4' energy: -180.568 flat angles P-C4'-P energy: -118.896 tors. eta vs tors. theta energy: -210.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2409.911797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.911797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.911797 (E_RNA) where: Base-Base interactions energy: -1622.071 where: short stacking energy: -762.403 Base-Backbone interact. energy: -3.870 local terms energy: -783.971008 where: bonds (distance) C4'-P energy: -132.459 bonds (distance) P-C4' energy: -157.759 flat angles C4'-P-C4' energy: -161.970 flat angles P-C4'-P energy: -111.645 tors. eta vs tors. theta energy: -220.138 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: 5 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2175.718984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.718984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.718984 (E_RNA) where: Base-Base interactions energy: -1463.039 where: short stacking energy: -653.172 Base-Backbone interact. energy: -0.277 local terms energy: -712.402459 where: bonds (distance) C4'-P energy: -139.891 bonds (distance) P-C4' energy: -145.482 flat angles C4'-P-C4' energy: -145.084 flat angles P-C4'-P energy: -118.839 tors. eta vs tors. theta energy: -163.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2112.456825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.456825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.456825 (E_RNA) where: Base-Base interactions energy: -1415.178 where: short stacking energy: -597.548 Base-Backbone interact. energy: -6.536 local terms energy: -690.742168 where: bonds (distance) C4'-P energy: -152.732 bonds (distance) P-C4' energy: -141.935 flat angles C4'-P-C4' energy: -166.622 flat angles P-C4'-P energy: -103.726 tors. eta vs tors. theta energy: -125.727 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: 2 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1922.998773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.998773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.998773 (E_RNA) where: Base-Base interactions energy: -1260.240 where: short stacking energy: -583.520 Base-Backbone interact. energy: -3.192 local terms energy: -659.566767 where: bonds (distance) C4'-P energy: -142.261 bonds (distance) P-C4' energy: -142.358 flat angles C4'-P-C4' energy: -144.104 flat angles P-C4'-P energy: -91.033 tors. eta vs tors. theta energy: -139.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1739.167613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.167613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.167613 (E_RNA) where: Base-Base interactions energy: -1111.333 where: short stacking energy: -507.744 Base-Backbone interact. energy: -1.726 local terms energy: -626.108752 where: bonds (distance) C4'-P energy: -144.925 bonds (distance) P-C4' energy: -141.165 flat angles C4'-P-C4' energy: -147.422 flat angles P-C4'-P energy: -66.096 tors. eta vs tors. theta energy: -126.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1336.494304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.494304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.494304 (E_RNA) where: Base-Base interactions energy: -784.054 where: short stacking energy: -379.475 Base-Backbone interact. energy: 2.750 local terms energy: -555.190196 where: bonds (distance) C4'-P energy: -118.305 bonds (distance) P-C4' energy: -149.455 flat angles C4'-P-C4' energy: -132.020 flat angles P-C4'-P energy: -87.270 tors. eta vs tors. theta energy: -68.140 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: 190 Temperature: 1.300000 Total energy: -712.477015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.477015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.477015 (E_RNA) where: Base-Base interactions energy: -272.756 where: short stacking energy: -219.602 Base-Backbone interact. energy: -2.859 local terms energy: -436.862719 where: bonds (distance) C4'-P energy: -141.963 bonds (distance) P-C4' energy: -126.009 flat angles C4'-P-C4' energy: -102.781 flat angles P-C4'-P energy: -78.629 tors. eta vs tors. theta energy: 12.520 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: 10, replica: 10 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -729.135283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.135283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.135283 (E_RNA) where: Base-Base interactions energy: -364.364 where: short stacking energy: -215.723 Base-Backbone interact. energy: 0.588 local terms energy: -365.359810 where: bonds (distance) C4'-P energy: -113.506 bonds (distance) P-C4' energy: -129.555 flat angles C4'-P-C4' energy: -107.472 flat angles P-C4'-P energy: -49.629 tors. eta vs tors. theta energy: 34.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2694.612567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.612567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.612567 (E_RNA) where: Base-Base interactions energy: -1859.777 where: short stacking energy: -807.723 Base-Backbone interact. energy: -0.616 local terms energy: -834.219398 where: bonds (distance) C4'-P energy: -148.858 bonds (distance) P-C4' energy: -157.306 flat angles C4'-P-C4' energy: -183.566 flat angles P-C4'-P energy: -116.176 tors. eta vs tors. theta energy: -228.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2567.432618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.432618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.432618 (E_RNA) where: Base-Base interactions energy: -1751.128 where: short stacking energy: -798.955 Base-Backbone interact. energy: -3.173 local terms energy: -813.131161 where: bonds (distance) C4'-P energy: -158.378 bonds (distance) P-C4' energy: -159.185 flat angles C4'-P-C4' energy: -172.134 flat angles P-C4'-P energy: -110.339 tors. eta vs tors. theta energy: -213.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2423.293593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.293593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.293593 (E_RNA) where: Base-Base interactions energy: -1604.153 where: short stacking energy: -745.959 Base-Backbone interact. energy: -1.956 local terms energy: -817.184751 where: bonds (distance) C4'-P energy: -152.422 bonds (distance) P-C4' energy: -150.344 flat angles C4'-P-C4' energy: -162.432 flat angles P-C4'-P energy: -121.580 tors. eta vs tors. theta energy: -230.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2248.219669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.219669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.219669 (E_RNA) where: Base-Base interactions energy: -1488.688 where: short stacking energy: -671.144 Base-Backbone interact. energy: -3.693 local terms energy: -755.838306 where: bonds (distance) C4'-P energy: -152.016 bonds (distance) P-C4' energy: -161.892 flat angles C4'-P-C4' energy: -163.209 flat angles P-C4'-P energy: -110.312 tors. eta vs tors. theta energy: -168.410 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: 5 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2116.730391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.730391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.730391 (E_RNA) where: Base-Base interactions energy: -1426.533 where: short stacking energy: -631.429 Base-Backbone interact. energy: 1.001 local terms energy: -691.198155 where: bonds (distance) C4'-P energy: -132.719 bonds (distance) P-C4' energy: -144.505 flat angles C4'-P-C4' energy: -159.499 flat angles P-C4'-P energy: -103.240 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: 6, replica: 2 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1944.097832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.097832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.097832 (E_RNA) where: Base-Base interactions energy: -1287.932 where: short stacking energy: -560.048 Base-Backbone interact. energy: 0.284 local terms energy: -656.449903 where: bonds (distance) C4'-P energy: -129.855 bonds (distance) P-C4' energy: -156.288 flat angles C4'-P-C4' energy: -146.193 flat angles P-C4'-P energy: -92.626 tors. eta vs tors. theta energy: -131.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1752.774037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.774037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.774037 (E_RNA) where: Base-Base interactions energy: -1162.436 where: short stacking energy: -529.403 Base-Backbone interact. energy: -2.050 local terms energy: -588.288705 where: bonds (distance) C4'-P energy: -132.982 bonds (distance) P-C4' energy: -136.476 flat angles C4'-P-C4' energy: -135.606 flat angles P-C4'-P energy: -77.166 tors. eta vs tors. theta energy: -106.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1343.002496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.002496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.002496 (E_RNA) where: Base-Base interactions energy: -802.585 where: short stacking energy: -359.036 Base-Backbone interact. energy: -2.502 local terms energy: -537.915482 where: bonds (distance) C4'-P energy: -135.462 bonds (distance) P-C4' energy: -138.860 flat angles C4'-P-C4' energy: -119.782 flat angles P-C4'-P energy: -81.798 tors. eta vs tors. theta energy: -62.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -704.399765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.399765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.399765 (E_RNA) where: Base-Base interactions energy: -279.717 where: short stacking energy: -172.811 Base-Backbone interact. energy: 3.624 local terms energy: -428.306906 where: bonds (distance) C4'-P energy: -138.676 bonds (distance) P-C4' energy: -157.375 flat angles C4'-P-C4' energy: -105.026 flat angles P-C4'-P energy: -56.025 tors. eta vs tors. theta energy: 28.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -782.120710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.120710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.120710 (E_RNA) where: Base-Base interactions energy: -327.387 where: short stacking energy: -201.189 Base-Backbone interact. energy: -3.758 local terms energy: -450.976513 where: bonds (distance) C4'-P energy: -153.732 bonds (distance) P-C4' energy: -131.920 flat angles C4'-P-C4' energy: -121.432 flat angles P-C4'-P energy: -70.422 tors. eta vs tors. theta energy: 26.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2664.149734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.149734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.149734 (E_RNA) where: Base-Base interactions energy: -1847.871 where: short stacking energy: -776.967 Base-Backbone interact. energy: -6.269 local terms energy: -810.009805 where: bonds (distance) C4'-P energy: -148.272 bonds (distance) P-C4' energy: -150.366 flat angles C4'-P-C4' energy: -180.328 flat angles P-C4'-P energy: -124.077 tors. eta vs tors. theta energy: -206.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2599.736859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.736859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.736859 (E_RNA) where: Base-Base interactions energy: -1783.501 where: short stacking energy: -786.307 Base-Backbone interact. energy: 4.740 local terms energy: -820.975230 where: bonds (distance) C4'-P energy: -140.280 bonds (distance) P-C4' energy: -142.231 flat angles C4'-P-C4' energy: -192.748 flat angles P-C4'-P energy: -123.863 tors. eta vs tors. theta energy: -221.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2376.244463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.244463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.244463 (E_RNA) where: Base-Base interactions energy: -1585.060 where: short stacking energy: -738.360 Base-Backbone interact. energy: -2.474 local terms energy: -788.710696 where: bonds (distance) C4'-P energy: -151.471 bonds (distance) P-C4' energy: -147.308 flat angles C4'-P-C4' energy: -163.044 flat angles P-C4'-P energy: -110.247 tors. eta vs tors. theta energy: -216.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2275.814951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.814951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.814951 (E_RNA) where: Base-Base interactions energy: -1540.692 where: short stacking energy: -710.518 Base-Backbone interact. energy: -0.700 local terms energy: -734.423401 where: bonds (distance) C4'-P energy: -155.198 bonds (distance) P-C4' energy: -130.253 flat angles C4'-P-C4' energy: -161.836 flat angles P-C4'-P energy: -105.995 tors. eta vs tors. theta energy: -181.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2122.742036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.742036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.742036 (E_RNA) where: Base-Base interactions energy: -1384.499 where: short stacking energy: -610.119 Base-Backbone interact. energy: -0.983 local terms energy: -737.259444 where: bonds (distance) C4'-P energy: -147.694 bonds (distance) P-C4' energy: -167.604 flat angles C4'-P-C4' energy: -157.030 flat angles P-C4'-P energy: -115.943 tors. eta vs tors. theta energy: -148.988 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: 2 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1886.377706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.377706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.377706 (E_RNA) where: Base-Base interactions energy: -1252.646 where: short stacking energy: -567.055 Base-Backbone interact. energy: -2.787 local terms energy: -630.944371 where: bonds (distance) C4'-P energy: -123.908 bonds (distance) P-C4' energy: -127.823 flat angles C4'-P-C4' energy: -151.825 flat angles P-C4'-P energy: -106.530 tors. eta vs tors. theta energy: -120.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1759.265453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.265453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.265453 (E_RNA) where: Base-Base interactions energy: -1155.024 where: short stacking energy: -541.957 Base-Backbone interact. energy: 3.808 local terms energy: -608.049053 where: bonds (distance) C4'-P energy: -141.862 bonds (distance) P-C4' energy: -134.285 flat angles C4'-P-C4' energy: -129.657 flat angles P-C4'-P energy: -83.351 tors. eta vs tors. theta energy: -118.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1273.613859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.613859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.613859 (E_RNA) where: Base-Base interactions energy: -743.923 where: short stacking energy: -347.315 Base-Backbone interact. energy: 5.195 local terms energy: -534.885088 where: bonds (distance) C4'-P energy: -129.946 bonds (distance) P-C4' energy: -150.533 flat angles C4'-P-C4' energy: -135.933 flat angles P-C4'-P energy: -74.707 tors. eta vs tors. theta energy: -43.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -860.607667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.607667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.607667 (E_RNA) where: Base-Base interactions energy: -356.856 where: short stacking energy: -220.439 Base-Backbone interact. energy: -0.349 local terms energy: -503.402218 where: bonds (distance) C4'-P energy: -147.119 bonds (distance) P-C4' energy: -146.732 flat angles C4'-P-C4' energy: -122.756 flat angles P-C4'-P energy: -95.186 tors. eta vs tors. theta energy: 8.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -673.634879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.634879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.634879 (E_RNA) where: Base-Base interactions energy: -236.100 where: short stacking energy: -191.309 Base-Backbone interact. energy: 2.904 local terms energy: -440.438902 where: bonds (distance) C4'-P energy: -133.857 bonds (distance) P-C4' energy: -151.334 flat angles C4'-P-C4' energy: -107.405 flat angles P-C4'-P energy: -63.293 tors. eta vs tors. theta energy: 15.450 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: 3 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2685.187351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.187351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.187351 (E_RNA) where: Base-Base interactions energy: -1823.743 where: short stacking energy: -772.023 Base-Backbone interact. energy: -5.509 local terms energy: -855.935096 where: bonds (distance) C4'-P energy: -164.166 bonds (distance) P-C4' energy: -165.872 flat angles C4'-P-C4' energy: -179.800 flat angles P-C4'-P energy: -127.136 tors. eta vs tors. theta energy: -218.961 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: 193 Temperature: 0.950000 Total energy: -2599.578991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.578991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.578991 (E_RNA) where: Base-Base interactions energy: -1780.832 where: short stacking energy: -766.917 Base-Backbone interact. energy: -3.563 local terms energy: -815.184583 where: bonds (distance) C4'-P energy: -141.927 bonds (distance) P-C4' energy: -155.909 flat angles C4'-P-C4' energy: -184.875 flat angles P-C4'-P energy: -110.722 tors. eta vs tors. theta energy: -221.751 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: 1 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2392.014927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.014927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.014927 (E_RNA) where: Base-Base interactions energy: -1578.471 where: short stacking energy: -714.119 Base-Backbone interact. energy: -1.829 local terms energy: -811.714748 where: bonds (distance) C4'-P energy: -156.206 bonds (distance) P-C4' energy: -154.286 flat angles C4'-P-C4' energy: -170.880 flat angles P-C4'-P energy: -118.769 tors. eta vs tors. theta energy: -211.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2255.009532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.009532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.009532 (E_RNA) where: Base-Base interactions energy: -1510.825 where: short stacking energy: -667.722 Base-Backbone interact. energy: -0.916 local terms energy: -743.268970 where: bonds (distance) C4'-P energy: -141.328 bonds (distance) P-C4' energy: -156.283 flat angles C4'-P-C4' energy: -160.207 flat angles P-C4'-P energy: -117.920 tors. eta vs tors. theta energy: -167.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2158.471488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.471488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.471488 (E_RNA) where: Base-Base interactions energy: -1476.382 where: short stacking energy: -648.690 Base-Backbone interact. energy: -0.940 local terms energy: -681.149290 where: bonds (distance) C4'-P energy: -142.470 bonds (distance) P-C4' energy: -131.659 flat angles C4'-P-C4' energy: -164.532 flat angles P-C4'-P energy: -90.025 tors. eta vs tors. theta energy: -152.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1841.172667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.172667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.172667 (E_RNA) where: Base-Base interactions energy: -1187.459 where: short stacking energy: -529.216 Base-Backbone interact. energy: -5.652 local terms energy: -648.061007 where: bonds (distance) C4'-P energy: -152.271 bonds (distance) P-C4' energy: -126.117 flat angles C4'-P-C4' energy: -151.048 flat angles P-C4'-P energy: -102.965 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: 7, replica: 4 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1806.179903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.179903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.179903 (E_RNA) where: Base-Base interactions energy: -1177.394 where: short stacking energy: -521.297 Base-Backbone interact. energy: -3.631 local terms energy: -625.155508 where: bonds (distance) C4'-P energy: -118.356 bonds (distance) P-C4' energy: -122.385 flat angles C4'-P-C4' energy: -164.583 flat angles P-C4'-P energy: -98.513 tors. eta vs tors. theta energy: -121.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1257.519188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.519188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.519188 (E_RNA) where: Base-Base interactions energy: -757.233 where: short stacking energy: -375.737 Base-Backbone interact. energy: 4.360 local terms energy: -504.646156 where: bonds (distance) C4'-P energy: -104.205 bonds (distance) P-C4' energy: -150.577 flat angles C4'-P-C4' energy: -117.700 flat angles P-C4'-P energy: -84.176 tors. eta vs tors. theta energy: -47.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -844.303788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.303788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.303788 (E_RNA) where: Base-Base interactions energy: -405.800 where: short stacking energy: -271.135 Base-Backbone interact. energy: -2.365 local terms energy: -436.139624 where: bonds (distance) C4'-P energy: -128.422 bonds (distance) P-C4' energy: -143.313 flat angles C4'-P-C4' energy: -105.174 flat angles P-C4'-P energy: -51.372 tors. eta vs tors. theta energy: -7.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -628.243720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.243720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.243720 (E_RNA) where: Base-Base interactions energy: -237.935 where: short stacking energy: -174.763 Base-Backbone interact. energy: 6.849 local terms energy: -397.157057 where: bonds (distance) C4'-P energy: -124.301 bonds (distance) P-C4' energy: -145.945 flat angles C4'-P-C4' energy: -100.166 flat angles P-C4'-P energy: -66.810 tors. eta vs tors. theta energy: 40.064 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: 3 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2679.418260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.418260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.418260 (E_RNA) where: Base-Base interactions energy: -1811.319 where: short stacking energy: -796.135 Base-Backbone interact. energy: -5.264 local terms energy: -862.835201 where: bonds (distance) C4'-P energy: -156.155 bonds (distance) P-C4' energy: -177.527 flat angles C4'-P-C4' energy: -185.100 flat angles P-C4'-P energy: -114.807 tors. eta vs tors. theta energy: -229.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2532.968753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.968753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.968753 (E_RNA) where: Base-Base interactions energy: -1693.581 where: short stacking energy: -757.583 Base-Backbone interact. energy: 0.666 local terms energy: -840.053038 where: bonds (distance) C4'-P energy: -153.840 bonds (distance) P-C4' energy: -172.866 flat angles C4'-P-C4' energy: -181.771 flat angles P-C4'-P energy: -107.116 tors. eta vs tors. theta energy: -224.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2405.116549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.116549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.116549 (E_RNA) where: Base-Base interactions energy: -1632.929 where: short stacking energy: -723.719 Base-Backbone interact. energy: -1.250 local terms energy: -770.936866 where: bonds (distance) C4'-P energy: -134.648 bonds (distance) P-C4' energy: -147.374 flat angles C4'-P-C4' energy: -173.293 flat angles P-C4'-P energy: -104.806 tors. eta vs tors. theta energy: -210.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2254.358474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.358474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.358474 (E_RNA) where: Base-Base interactions energy: -1516.483 where: short stacking energy: -673.608 Base-Backbone interact. energy: -2.309 local terms energy: -735.566338 where: bonds (distance) C4'-P energy: -151.826 bonds (distance) P-C4' energy: -142.473 flat angles C4'-P-C4' energy: -164.291 flat angles P-C4'-P energy: -117.471 tors. eta vs tors. theta energy: -159.504 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: 5 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2103.760494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.760494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.760494 (E_RNA) where: Base-Base interactions energy: -1403.773 where: short stacking energy: -630.458 Base-Backbone interact. energy: -3.388 local terms energy: -696.599435 where: bonds (distance) C4'-P energy: -144.928 bonds (distance) P-C4' energy: -151.552 flat angles C4'-P-C4' energy: -161.522 flat angles P-C4'-P energy: -83.037 tors. eta vs tors. theta energy: -155.561 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: 2 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1899.025428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.025428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.025428 (E_RNA) where: Base-Base interactions energy: -1217.256 where: short stacking energy: -526.146 Base-Backbone interact. energy: 0.011 local terms energy: -681.780443 where: bonds (distance) C4'-P energy: -141.139 bonds (distance) P-C4' energy: -147.744 flat angles C4'-P-C4' energy: -164.211 flat angles P-C4'-P energy: -112.791 tors. eta vs tors. theta energy: -115.896 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: 7, replica: 4 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1804.145297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.145297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.145297 (E_RNA) where: Base-Base interactions energy: -1206.812 where: short stacking energy: -535.695 Base-Backbone interact. energy: 0.057 local terms energy: -597.390129 where: bonds (distance) C4'-P energy: -107.422 bonds (distance) P-C4' energy: -142.177 flat angles C4'-P-C4' energy: -134.374 flat angles P-C4'-P energy: -103.484 tors. eta vs tors. theta energy: -109.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1197.163064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.163064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.163064 (E_RNA) where: Base-Base interactions energy: -677.176 where: short stacking energy: -314.981 Base-Backbone interact. energy: 3.288 local terms energy: -523.274436 where: bonds (distance) C4'-P energy: -126.408 bonds (distance) P-C4' energy: -156.022 flat angles C4'-P-C4' energy: -120.806 flat angles P-C4'-P energy: -89.327 tors. eta vs tors. theta energy: -30.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -809.451721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.451721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.451721 (E_RNA) where: Base-Base interactions energy: -358.189 where: short stacking energy: -223.644 Base-Backbone interact. energy: -2.321 local terms energy: -448.941748 where: bonds (distance) C4'-P energy: -124.755 bonds (distance) P-C4' energy: -126.831 flat angles C4'-P-C4' energy: -122.099 flat angles P-C4'-P energy: -81.688 tors. eta vs tors. theta energy: 6.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -610.228015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.228015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.228015 (E_RNA) where: Base-Base interactions energy: -201.377 where: short stacking energy: -163.974 Base-Backbone interact. energy: -0.291 local terms energy: -408.559045 where: bonds (distance) C4'-P energy: -134.671 bonds (distance) P-C4' energy: -147.544 flat angles C4'-P-C4' energy: -106.381 flat angles P-C4'-P energy: -46.548 tors. eta vs tors. theta energy: 26.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2698.856589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.856589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.856589 (E_RNA) where: Base-Base interactions energy: -1845.220 where: short stacking energy: -792.252 Base-Backbone interact. energy: -4.718 local terms energy: -848.918377 where: bonds (distance) C4'-P energy: -157.175 bonds (distance) P-C4' energy: -161.852 flat angles C4'-P-C4' energy: -182.724 flat angles P-C4'-P energy: -129.352 tors. eta vs tors. theta energy: -217.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2527.711039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.711039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.711039 (E_RNA) where: Base-Base interactions energy: -1732.513 where: short stacking energy: -780.327 Base-Backbone interact. energy: 2.064 local terms energy: -797.261933 where: bonds (distance) C4'-P energy: -134.064 bonds (distance) P-C4' energy: -161.771 flat angles C4'-P-C4' energy: -178.716 flat angles P-C4'-P energy: -98.231 tors. eta vs tors. theta energy: -224.480 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: 3, replica: 1 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2396.574415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.574415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.574415 (E_RNA) where: Base-Base interactions energy: -1607.287 where: short stacking energy: -737.265 Base-Backbone interact. energy: -3.283 local terms energy: -786.004155 where: bonds (distance) C4'-P energy: -142.140 bonds (distance) P-C4' energy: -150.769 flat angles C4'-P-C4' energy: -177.568 flat angles P-C4'-P energy: -107.240 tors. eta vs tors. theta energy: -208.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2267.544240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.544240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.544240 (E_RNA) where: Base-Base interactions energy: -1511.740 where: short stacking energy: -691.795 Base-Backbone interact. energy: -2.777 local terms energy: -753.027892 where: bonds (distance) C4'-P energy: -160.576 bonds (distance) P-C4' energy: -135.230 flat angles C4'-P-C4' energy: -168.248 flat angles P-C4'-P energy: -114.066 tors. eta vs tors. theta energy: -174.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2099.684272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.684272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.684272 (E_RNA) where: Base-Base interactions energy: -1424.118 where: short stacking energy: -630.462 Base-Backbone interact. energy: -5.173 local terms energy: -670.393389 where: bonds (distance) C4'-P energy: -122.451 bonds (distance) P-C4' energy: -136.818 flat angles C4'-P-C4' energy: -167.667 flat angles P-C4'-P energy: -98.808 tors. eta vs tors. theta energy: -144.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1855.396404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.396404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.396404 (E_RNA) where: Base-Base interactions energy: -1211.013 where: short stacking energy: -550.270 Base-Backbone interact. energy: 1.589 local terms energy: -645.972507 where: bonds (distance) C4'-P energy: -128.527 bonds (distance) P-C4' energy: -163.666 flat angles C4'-P-C4' energy: -145.417 flat angles P-C4'-P energy: -89.218 tors. eta vs tors. theta energy: -119.144 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: 7, replica: 4 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1813.293791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.293791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.293791 (E_RNA) where: Base-Base interactions energy: -1169.589 where: short stacking energy: -509.354 Base-Backbone interact. energy: 3.589 local terms energy: -647.294026 where: bonds (distance) C4'-P energy: -141.089 bonds (distance) P-C4' energy: -130.996 flat angles C4'-P-C4' energy: -171.935 flat angles P-C4'-P energy: -83.750 tors. eta vs tors. theta energy: -119.524 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: 8 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1241.455357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.455357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.455357 (E_RNA) where: Base-Base interactions energy: -737.576 where: short stacking energy: -348.088 Base-Backbone interact. energy: -0.588 local terms energy: -503.291659 where: bonds (distance) C4'-P energy: -121.792 bonds (distance) P-C4' energy: -142.792 flat angles C4'-P-C4' energy: -128.486 flat angles P-C4'-P energy: -75.552 tors. eta vs tors. theta energy: -34.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -824.505324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.505324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.505324 (E_RNA) where: Base-Base interactions energy: -362.863 where: short stacking energy: -227.243 Base-Backbone interact. energy: -1.228 local terms energy: -460.414773 where: bonds (distance) C4'-P energy: -143.778 bonds (distance) P-C4' energy: -121.739 flat angles C4'-P-C4' energy: -132.730 flat angles P-C4'-P energy: -74.851 tors. eta vs tors. theta energy: 12.683 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: 10, replica: 7 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -645.919167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.919167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.919167 (E_RNA) where: Base-Base interactions energy: -223.386 where: short stacking energy: -207.471 Base-Backbone interact. energy: -0.318 local terms energy: -422.214986 where: bonds (distance) C4'-P energy: -111.459 bonds (distance) P-C4' energy: -147.547 flat angles C4'-P-C4' energy: -112.224 flat angles P-C4'-P energy: -69.858 tors. eta vs tors. theta energy: 18.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2685.293477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.293477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.293477 (E_RNA) where: Base-Base interactions energy: -1843.560 where: short stacking energy: -800.286 Base-Backbone interact. energy: -5.630 local terms energy: -836.103233 where: bonds (distance) C4'-P energy: -147.284 bonds (distance) P-C4' energy: -165.194 flat angles C4'-P-C4' energy: -178.230 flat angles P-C4'-P energy: -126.157 tors. eta vs tors. theta energy: -219.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2539.442852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.442852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.442852 (E_RNA) where: Base-Base interactions energy: -1714.079 where: short stacking energy: -747.947 Base-Backbone interact. energy: -1.181 local terms energy: -824.182973 where: bonds (distance) C4'-P energy: -153.941 bonds (distance) P-C4' energy: -164.534 flat angles C4'-P-C4' energy: -177.745 flat angles P-C4'-P energy: -110.022 tors. eta vs tors. theta energy: -217.941 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: 1 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2340.013171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.013171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.013171 (E_RNA) where: Base-Base interactions energy: -1562.400 where: short stacking energy: -695.638 Base-Backbone interact. energy: -1.744 local terms energy: -775.869183 where: bonds (distance) C4'-P energy: -145.700 bonds (distance) P-C4' energy: -164.860 flat angles C4'-P-C4' energy: -166.066 flat angles P-C4'-P energy: -101.786 tors. eta vs tors. theta energy: -197.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2263.055490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.055490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.055490 (E_RNA) where: Base-Base interactions energy: -1481.942 where: short stacking energy: -694.482 Base-Backbone interact. energy: 1.197 local terms energy: -782.310734 where: bonds (distance) C4'-P energy: -142.668 bonds (distance) P-C4' energy: -152.037 flat angles C4'-P-C4' energy: -186.999 flat angles P-C4'-P energy: -103.574 tors. eta vs tors. theta energy: -197.033 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: 5 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2157.044086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.044086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.044086 (E_RNA) where: Base-Base interactions energy: -1444.388 where: short stacking energy: -627.331 Base-Backbone interact. energy: 2.137 local terms energy: -714.792437 where: bonds (distance) C4'-P energy: -131.915 bonds (distance) P-C4' energy: -146.948 flat angles C4'-P-C4' energy: -162.375 flat angles P-C4'-P energy: -109.368 tors. eta vs tors. theta energy: -164.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1876.901322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.901322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.901322 (E_RNA) where: Base-Base interactions energy: -1233.481 where: short stacking energy: -550.354 Base-Backbone interact. energy: 2.226 local terms energy: -645.645620 where: bonds (distance) C4'-P energy: -135.395 bonds (distance) P-C4' energy: -169.243 flat angles C4'-P-C4' energy: -157.918 flat angles P-C4'-P energy: -68.659 tors. eta vs tors. theta energy: -114.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1675.720840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.720840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.720840 (E_RNA) where: Base-Base interactions energy: -1073.617 where: short stacking energy: -466.705 Base-Backbone interact. energy: -2.822 local terms energy: -599.282223 where: bonds (distance) C4'-P energy: -125.122 bonds (distance) P-C4' energy: -140.337 flat angles C4'-P-C4' energy: -129.765 flat angles P-C4'-P energy: -99.354 tors. eta vs tors. theta energy: -104.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1173.227141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.227141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.227141 (E_RNA) where: Base-Base interactions energy: -651.644 where: short stacking energy: -323.872 Base-Backbone interact. energy: 1.983 local terms energy: -523.566389 where: bonds (distance) C4'-P energy: -135.673 bonds (distance) P-C4' energy: -129.311 flat angles C4'-P-C4' energy: -124.124 flat angles P-C4'-P energy: -94.446 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: 10 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -846.997192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.997192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.997192 (E_RNA) where: Base-Base interactions energy: -386.919 where: short stacking energy: -226.017 Base-Backbone interact. energy: 2.151 local terms energy: -462.229323 where: bonds (distance) C4'-P energy: -136.902 bonds (distance) P-C4' energy: -123.647 flat angles C4'-P-C4' energy: -123.797 flat angles P-C4'-P energy: -78.412 tors. eta vs tors. theta energy: 0.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -630.065580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.065580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.065580 (E_RNA) where: Base-Base interactions energy: -217.132 where: short stacking energy: -171.590 Base-Backbone interact. energy: 1.957 local terms energy: -414.891463 where: bonds (distance) C4'-P energy: -133.621 bonds (distance) P-C4' energy: -139.495 flat angles C4'-P-C4' energy: -121.618 flat angles P-C4'-P energy: -31.129 tors. eta vs tors. theta energy: 10.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2665.886738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.886738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.886738 (E_RNA) where: Base-Base interactions energy: -1826.572 where: short stacking energy: -768.279 Base-Backbone interact. energy: -4.343 local terms energy: -834.971809 where: bonds (distance) C4'-P energy: -162.251 bonds (distance) P-C4' energy: -155.232 flat angles C4'-P-C4' energy: -182.531 flat angles P-C4'-P energy: -120.478 tors. eta vs tors. theta energy: -214.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2526.638793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.638793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.638793 (E_RNA) where: Base-Base interactions energy: -1725.198 where: short stacking energy: -756.432 Base-Backbone interact. energy: -2.042 local terms energy: -799.398410 where: bonds (distance) C4'-P energy: -149.172 bonds (distance) P-C4' energy: -144.638 flat angles C4'-P-C4' energy: -168.039 flat angles P-C4'-P energy: -115.729 tors. eta vs tors. theta energy: -221.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2429.649240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.649240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.649240 (E_RNA) where: Base-Base interactions energy: -1655.015 where: short stacking energy: -731.487 Base-Backbone interact. energy: 2.761 local terms energy: -777.394904 where: bonds (distance) C4'-P energy: -123.473 bonds (distance) P-C4' energy: -160.289 flat angles C4'-P-C4' energy: -175.470 flat angles P-C4'-P energy: -114.751 tors. eta vs tors. theta energy: -203.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2209.770127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.770127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.770127 (E_RNA) where: Base-Base interactions energy: -1501.618 where: short stacking energy: -650.863 Base-Backbone interact. energy: 6.471 local terms energy: -714.623861 where: bonds (distance) C4'-P energy: -135.405 bonds (distance) P-C4' energy: -148.528 flat angles C4'-P-C4' energy: -170.763 flat angles P-C4'-P energy: -109.293 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: 5, replica: 5 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2108.531624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.531624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.531624 (E_RNA) where: Base-Base interactions energy: -1405.863 where: short stacking energy: -609.076 Base-Backbone interact. energy: -0.025 local terms energy: -702.643663 where: bonds (distance) C4'-P energy: -143.003 bonds (distance) P-C4' energy: -156.364 flat angles C4'-P-C4' energy: -144.488 flat angles P-C4'-P energy: -102.129 tors. eta vs tors. theta energy: -156.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1945.334869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.334869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.334869 (E_RNA) where: Base-Base interactions energy: -1289.153 where: short stacking energy: -555.041 Base-Backbone interact. energy: 3.078 local terms energy: -659.259893 where: bonds (distance) C4'-P energy: -138.587 bonds (distance) P-C4' energy: -151.149 flat angles C4'-P-C4' energy: -151.960 flat angles P-C4'-P energy: -103.920 tors. eta vs tors. theta energy: -113.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1680.674320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.674320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.674320 (E_RNA) where: Base-Base interactions energy: -1106.353 where: short stacking energy: -484.922 Base-Backbone interact. energy: 0.138 local terms energy: -574.459168 where: bonds (distance) C4'-P energy: -144.301 bonds (distance) P-C4' energy: -152.792 flat angles C4'-P-C4' energy: -134.143 flat angles P-C4'-P energy: -60.618 tors. eta vs tors. theta energy: -82.605 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: 8 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1101.387414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.387414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.387414 (E_RNA) where: Base-Base interactions energy: -636.609 where: short stacking energy: -312.134 Base-Backbone interact. energy: 2.463 local terms energy: -467.241862 where: bonds (distance) C4'-P energy: -132.545 bonds (distance) P-C4' energy: -137.574 flat angles C4'-P-C4' energy: -101.016 flat angles P-C4'-P energy: -70.925 tors. eta vs tors. theta energy: -25.183 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: 10 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -854.014075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.014075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.014075 (E_RNA) where: Base-Base interactions energy: -379.805 where: short stacking energy: -230.589 Base-Backbone interact. energy: 1.510 local terms energy: -475.719905 where: bonds (distance) C4'-P energy: -139.065 bonds (distance) P-C4' energy: -152.219 flat angles C4'-P-C4' energy: -114.585 flat angles P-C4'-P energy: -79.139 tors. eta vs tors. theta energy: 9.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -595.044821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.044821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.044821 (E_RNA) where: Base-Base interactions energy: -209.078 where: short stacking energy: -170.371 Base-Backbone interact. energy: 5.829 local terms energy: -391.795498 where: bonds (distance) C4'-P energy: -123.139 bonds (distance) P-C4' energy: -128.003 flat angles C4'-P-C4' energy: -94.661 flat angles P-C4'-P energy: -67.656 tors. eta vs tors. theta energy: 21.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2634.332862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.332862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.332862 (E_RNA) where: Base-Base interactions energy: -1811.269 where: short stacking energy: -772.632 Base-Backbone interact. energy: -1.275 local terms energy: -821.789085 where: bonds (distance) C4'-P energy: -168.872 bonds (distance) P-C4' energy: -164.051 flat angles C4'-P-C4' energy: -171.706 flat angles P-C4'-P energy: -109.042 tors. eta vs tors. theta energy: -208.119 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: 6 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2502.468711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.468711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.468711 (E_RNA) where: Base-Base interactions energy: -1689.199 where: short stacking energy: -760.068 Base-Backbone interact. energy: -3.478 local terms energy: -809.791675 where: bonds (distance) C4'-P energy: -143.573 bonds (distance) P-C4' energy: -162.184 flat angles C4'-P-C4' energy: -175.853 flat angles P-C4'-P energy: -109.280 tors. eta vs tors. theta energy: -218.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2422.415022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.415022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.415022 (E_RNA) where: Base-Base interactions energy: -1619.457 where: short stacking energy: -754.926 Base-Backbone interact. energy: -3.580 local terms energy: -799.378849 where: bonds (distance) C4'-P energy: -136.228 bonds (distance) P-C4' energy: -148.111 flat angles C4'-P-C4' energy: -184.188 flat angles P-C4'-P energy: -123.329 tors. eta vs tors. theta energy: -207.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2207.866211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.866211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.866211 (E_RNA) where: Base-Base interactions energy: -1477.607 where: short stacking energy: -623.360 Base-Backbone interact. energy: -0.817 local terms energy: -729.441738 where: bonds (distance) C4'-P energy: -152.425 bonds (distance) P-C4' energy: -176.744 flat angles C4'-P-C4' energy: -152.968 flat angles P-C4'-P energy: -90.884 tors. eta vs tors. theta energy: -156.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2068.784697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.784697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.784697 (E_RNA) where: Base-Base interactions energy: -1386.366 where: short stacking energy: -611.525 Base-Backbone interact. energy: -1.607 local terms energy: -680.812474 where: bonds (distance) C4'-P energy: -143.493 bonds (distance) P-C4' energy: -148.026 flat angles C4'-P-C4' energy: -156.602 flat angles P-C4'-P energy: -83.746 tors. eta vs tors. theta energy: -148.945 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: 2 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1945.152301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.152301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.152301 (E_RNA) where: Base-Base interactions energy: -1298.676 where: short stacking energy: -576.766 Base-Backbone interact. energy: -2.194 local terms energy: -644.282314 where: bonds (distance) C4'-P energy: -135.434 bonds (distance) P-C4' energy: -132.413 flat angles C4'-P-C4' energy: -163.315 flat angles P-C4'-P energy: -90.683 tors. eta vs tors. theta energy: -122.438 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: 4 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1686.678414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.678414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.678414 (E_RNA) where: Base-Base interactions energy: -1060.177 where: short stacking energy: -476.233 Base-Backbone interact. energy: -2.540 local terms energy: -623.961288 where: bonds (distance) C4'-P energy: -138.080 bonds (distance) P-C4' energy: -135.771 flat angles C4'-P-C4' energy: -157.185 flat angles P-C4'-P energy: -85.551 tors. eta vs tors. theta energy: -107.375 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: 8 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1183.182353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.182353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.182353 (E_RNA) where: Base-Base interactions energy: -665.997 where: short stacking energy: -332.817 Base-Backbone interact. energy: -1.093 local terms energy: -516.092686 where: bonds (distance) C4'-P energy: -140.737 bonds (distance) P-C4' energy: -140.995 flat angles C4'-P-C4' energy: -135.783 flat angles P-C4'-P energy: -66.586 tors. eta vs tors. theta energy: -31.991 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: 10 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -821.329467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.329467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.329467 (E_RNA) where: Base-Base interactions energy: -378.942 where: short stacking energy: -253.130 Base-Backbone interact. energy: 3.909 local terms energy: -446.296418 where: bonds (distance) C4'-P energy: -119.027 bonds (distance) P-C4' energy: -137.536 flat angles C4'-P-C4' energy: -124.531 flat angles P-C4'-P energy: -71.042 tors. eta vs tors. theta energy: 5.841 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: 7 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -622.382707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.382707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.382707 (E_RNA) where: Base-Base interactions energy: -250.826 where: short stacking energy: -222.685 Base-Backbone interact. energy: -2.508 local terms energy: -369.048592 where: bonds (distance) C4'-P energy: -112.947 bonds (distance) P-C4' energy: -119.006 flat angles C4'-P-C4' energy: -87.597 flat angles P-C4'-P energy: -64.763 tors. eta vs tors. theta energy: 15.264 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: 3 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2670.181540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.181540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.181540 (E_RNA) where: Base-Base interactions energy: -1820.232 where: short stacking energy: -798.957 Base-Backbone interact. energy: 1.818 local terms energy: -851.767540 where: bonds (distance) C4'-P energy: -164.436 bonds (distance) P-C4' energy: -151.047 flat angles C4'-P-C4' energy: -181.526 flat angles P-C4'-P energy: -125.082 tors. eta vs tors. theta energy: -229.676 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: 199 Temperature: 0.950000 Total energy: -2505.774683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.774683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.774683 (E_RNA) where: Base-Base interactions energy: -1692.068 where: short stacking energy: -726.963 Base-Backbone interact. energy: -2.833 local terms energy: -810.873591 where: bonds (distance) C4'-P energy: -153.762 bonds (distance) P-C4' energy: -159.735 flat angles C4'-P-C4' energy: -175.530 flat angles P-C4'-P energy: -110.620 tors. eta vs tors. theta energy: -211.226 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: 3, replica: 1 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2472.738497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.738497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.738497 (E_RNA) where: Base-Base interactions energy: -1678.692 where: short stacking energy: -750.265 Base-Backbone interact. energy: -4.822 local terms energy: -789.224833 where: bonds (distance) C4'-P energy: -144.286 bonds (distance) P-C4' energy: -156.826 flat angles C4'-P-C4' energy: -170.981 flat angles P-C4'-P energy: -116.292 tors. eta vs tors. theta energy: -200.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2224.889724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.889724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.889724 (E_RNA) where: Base-Base interactions energy: -1489.174 where: short stacking energy: -635.792 Base-Backbone interact. energy: -4.467 local terms energy: -731.248934 where: bonds (distance) C4'-P energy: -154.810 bonds (distance) P-C4' energy: -164.544 flat angles C4'-P-C4' energy: -160.719 flat angles P-C4'-P energy: -97.241 tors. eta vs tors. theta energy: -153.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2068.193286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.193286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.193286 (E_RNA) where: Base-Base interactions energy: -1386.594 where: short stacking energy: -610.548 Base-Backbone interact. energy: -3.619 local terms energy: -677.979529 where: bonds (distance) C4'-P energy: -133.102 bonds (distance) P-C4' energy: -154.471 flat angles C4'-P-C4' energy: -152.354 flat angles P-C4'-P energy: -90.996 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: 6, replica: 2 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1916.829189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.829189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.829189 (E_RNA) where: Base-Base interactions energy: -1259.346 where: short stacking energy: -528.665 Base-Backbone interact. energy: -3.039 local terms energy: -654.443726 where: bonds (distance) C4'-P energy: -150.365 bonds (distance) P-C4' energy: -147.986 flat angles C4'-P-C4' energy: -146.366 flat angles P-C4'-P energy: -78.202 tors. eta vs tors. theta energy: -131.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1762.334838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.334838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.334838 (E_RNA) where: Base-Base interactions energy: -1124.003 where: short stacking energy: -524.980 Base-Backbone interact. energy: -2.190 local terms energy: -636.141061 where: bonds (distance) C4'-P energy: -152.632 bonds (distance) P-C4' energy: -115.765 flat angles C4'-P-C4' energy: -138.044 flat angles P-C4'-P energy: -97.248 tors. eta vs tors. theta energy: -132.453 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: 8 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1194.559637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.559637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.559637 (E_RNA) where: Base-Base interactions energy: -642.450 where: short stacking energy: -346.623 Base-Backbone interact. energy: -5.112 local terms energy: -546.997734 where: bonds (distance) C4'-P energy: -147.862 bonds (distance) P-C4' energy: -133.541 flat angles C4'-P-C4' energy: -134.211 flat angles P-C4'-P energy: -78.784 tors. eta vs tors. theta energy: -52.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -834.211689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.211689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.211689 (E_RNA) where: Base-Base interactions energy: -395.607 where: short stacking energy: -264.220 Base-Backbone interact. energy: -2.674 local terms energy: -435.930746 where: bonds (distance) C4'-P energy: -143.178 bonds (distance) P-C4' energy: -130.843 flat angles C4'-P-C4' energy: -101.352 flat angles P-C4'-P energy: -59.021 tors. eta vs tors. theta energy: -1.537 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: 7 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -694.100390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.100390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.100390 (E_RNA) where: Base-Base interactions energy: -310.556 where: short stacking energy: -215.719 Base-Backbone interact. energy: 1.590 local terms energy: -385.134723 where: bonds (distance) C4'-P energy: -93.380 bonds (distance) P-C4' energy: -141.173 flat angles C4'-P-C4' energy: -104.407 flat angles P-C4'-P energy: -62.576 tors. eta vs tors. theta energy: 16.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2684.745950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.745950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.745950 (E_RNA) where: Base-Base interactions energy: -1819.554 where: short stacking energy: -813.267 Base-Backbone interact. energy: 3.835 local terms energy: -869.026858 where: bonds (distance) C4'-P energy: -162.820 bonds (distance) P-C4' energy: -174.037 flat angles C4'-P-C4' energy: -186.963 flat angles P-C4'-P energy: -120.917 tors. eta vs tors. theta energy: -224.290 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: 200 Temperature: 0.950000 Total energy: -2519.548697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.548697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.548697 (E_RNA) where: Base-Base interactions energy: -1655.774 where: short stacking energy: -756.945 Base-Backbone interact. energy: -4.234 local terms energy: -859.540168 where: bonds (distance) C4'-P energy: -164.732 bonds (distance) P-C4' energy: -163.520 flat angles C4'-P-C4' energy: -177.008 flat angles P-C4'-P energy: -133.805 tors. eta vs tors. theta energy: -220.474 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: 3, replica: 1 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2421.728596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.728596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.728596 (E_RNA) where: Base-Base interactions energy: -1618.409 where: short stacking energy: -718.835 Base-Backbone interact. energy: -1.657 local terms energy: -801.662634 where: bonds (distance) C4'-P energy: -160.173 bonds (distance) P-C4' energy: -139.442 flat angles C4'-P-C4' energy: -175.720 flat angles P-C4'-P energy: -113.585 tors. eta vs tors. theta energy: -212.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2222.159364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.159364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.159364 (E_RNA) where: Base-Base interactions energy: -1486.758 where: short stacking energy: -681.216 Base-Backbone interact. energy: -2.095 local terms energy: -733.307056 where: bonds (distance) C4'-P energy: -138.469 bonds (distance) P-C4' energy: -154.109 flat angles C4'-P-C4' energy: -148.887 flat angles P-C4'-P energy: -117.226 tors. eta vs tors. theta energy: -174.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2093.749205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.749205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.749205 (E_RNA) where: Base-Base interactions energy: -1398.028 where: short stacking energy: -607.021 Base-Backbone interact. energy: -4.243 local terms energy: -691.477958 where: bonds (distance) C4'-P energy: -132.848 bonds (distance) P-C4' energy: -140.352 flat angles C4'-P-C4' energy: -148.605 flat angles P-C4'-P energy: -126.515 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: 6, replica: 2 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1947.901175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.901175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.901175 (E_RNA) where: Base-Base interactions energy: -1291.497 where: short stacking energy: -582.411 Base-Backbone interact. energy: -3.800 local terms energy: -652.605077 where: bonds (distance) C4'-P energy: -135.195 bonds (distance) P-C4' energy: -129.980 flat angles C4'-P-C4' energy: -150.604 flat angles P-C4'-P energy: -99.592 tors. eta vs tors. theta energy: -137.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1781.416049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.416049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.416049 (E_RNA) where: Base-Base interactions energy: -1155.793 where: short stacking energy: -522.197 Base-Backbone interact. energy: -1.929 local terms energy: -623.694165 where: bonds (distance) C4'-P energy: -137.196 bonds (distance) P-C4' energy: -139.177 flat angles C4'-P-C4' energy: -145.855 flat angles P-C4'-P energy: -82.392 tors. eta vs tors. theta energy: -119.074 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: 8, replica: 8 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1233.631836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.631836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.631836 (E_RNA) where: Base-Base interactions energy: -671.476 where: short stacking energy: -367.117 Base-Backbone interact. energy: 5.193 local terms energy: -567.348951 where: bonds (distance) C4'-P energy: -126.599 bonds (distance) P-C4' energy: -150.071 flat angles C4'-P-C4' energy: -138.543 flat angles P-C4'-P energy: -93.772 tors. eta vs tors. theta energy: -58.364 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: 10 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -869.656213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.656213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.656213 (E_RNA) where: Base-Base interactions energy: -414.582 where: short stacking energy: -268.085 Base-Backbone interact. energy: -1.665 local terms energy: -453.408978 where: bonds (distance) C4'-P energy: -124.464 bonds (distance) P-C4' energy: -132.818 flat angles C4'-P-C4' energy: -121.666 flat angles P-C4'-P energy: -71.933 tors. eta vs tors. theta energy: -2.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -652.684642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.684642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.684642 (E_RNA) where: Base-Base interactions energy: -258.909 where: short stacking energy: -182.260 Base-Backbone interact. energy: -2.604 local terms energy: -391.171752 where: bonds (distance) C4'-P energy: -130.363 bonds (distance) P-C4' energy: -139.774 flat angles C4'-P-C4' energy: -94.280 flat angles P-C4'-P energy: -74.125 tors. eta vs tors. theta energy: 47.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2680.066109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.066109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.066109 (E_RNA) where: Base-Base interactions energy: -1846.882 where: short stacking energy: -817.607 Base-Backbone interact. energy: -1.346 local terms energy: -831.838264 where: bonds (distance) C4'-P energy: -148.998 bonds (distance) P-C4' energy: -155.550 flat angles C4'-P-C4' energy: -186.973 flat angles P-C4'-P energy: -125.274 tors. eta vs tors. theta energy: -215.043 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: 2, replica: 6 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2539.387828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.387828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.387828 (E_RNA) where: Base-Base interactions energy: -1718.014 where: short stacking energy: -783.752 Base-Backbone interact. energy: 5.501 local terms energy: -826.875153 where: bonds (distance) C4'-P energy: -157.735 bonds (distance) P-C4' energy: -162.381 flat angles C4'-P-C4' energy: -176.997 flat angles P-C4'-P energy: -100.533 tors. eta vs tors. theta energy: -229.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2405.716737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.716737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.716737 (E_RNA) where: Base-Base interactions energy: -1610.420 where: short stacking energy: -740.718 Base-Backbone interact. energy: -7.621 local terms energy: -787.675697 where: bonds (distance) C4'-P energy: -147.762 bonds (distance) P-C4' energy: -145.395 flat angles C4'-P-C4' energy: -170.620 flat angles P-C4'-P energy: -110.261 tors. eta vs tors. theta energy: -213.637 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: 9 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2206.952878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.952878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.952878 (E_RNA) where: Base-Base interactions energy: -1468.207 where: short stacking energy: -664.086 Base-Backbone interact. energy: 0.285 local terms energy: -739.030868 where: bonds (distance) C4'-P energy: -129.411 bonds (distance) P-C4' energy: -151.177 flat angles C4'-P-C4' energy: -166.912 flat angles P-C4'-P energy: -110.990 tors. eta vs tors. theta energy: -180.542 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: 5 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2081.865360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.865360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.865360 (E_RNA) where: Base-Base interactions energy: -1394.879 where: short stacking energy: -611.964 Base-Backbone interact. energy: 3.048 local terms energy: -690.034462 where: bonds (distance) C4'-P energy: -140.959 bonds (distance) P-C4' energy: -144.040 flat angles C4'-P-C4' energy: -157.712 flat angles P-C4'-P energy: -112.446 tors. eta vs tors. theta energy: -134.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1882.817721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.817721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.817721 (E_RNA) where: Base-Base interactions energy: -1253.574 where: short stacking energy: -557.019 Base-Backbone interact. energy: -3.586 local terms energy: -625.657987 where: bonds (distance) C4'-P energy: -141.744 bonds (distance) P-C4' energy: -133.058 flat angles C4'-P-C4' energy: -127.599 flat angles P-C4'-P energy: -97.771 tors. eta vs tors. theta energy: -125.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1753.428290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.428290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.428290 (E_RNA) where: Base-Base interactions energy: -1125.614 where: short stacking energy: -481.989 Base-Backbone interact. energy: -2.886 local terms energy: -624.928452 where: bonds (distance) C4'-P energy: -125.036 bonds (distance) P-C4' energy: -131.459 flat angles C4'-P-C4' energy: -150.784 flat angles P-C4'-P energy: -91.208 tors. eta vs tors. theta energy: -126.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1227.702855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.702855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.702855 (E_RNA) where: Base-Base interactions energy: -685.726 where: short stacking energy: -351.904 Base-Backbone interact. energy: 0.033 local terms energy: -542.010481 where: bonds (distance) C4'-P energy: -143.893 bonds (distance) P-C4' energy: -147.720 flat angles C4'-P-C4' energy: -129.306 flat angles P-C4'-P energy: -64.733 tors. eta vs tors. theta energy: -56.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -838.428366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.428366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.428366 (E_RNA) where: Base-Base interactions energy: -370.971 where: short stacking energy: -217.410 Base-Backbone interact. energy: 2.515 local terms energy: -469.972566 where: bonds (distance) C4'-P energy: -134.402 bonds (distance) P-C4' energy: -137.538 flat angles C4'-P-C4' energy: -137.907 flat angles P-C4'-P energy: -65.365 tors. eta vs tors. theta energy: 5.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -606.692818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.692818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.692818 (E_RNA) where: Base-Base interactions energy: -198.482 where: short stacking energy: -167.544 Base-Backbone interact. energy: -0.061 local terms energy: -408.149077 where: bonds (distance) C4'-P energy: -114.182 bonds (distance) P-C4' energy: -135.713 flat angles C4'-P-C4' energy: -114.381 flat angles P-C4'-P energy: -70.339 tors. eta vs tors. theta energy: 26.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2686.774782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.774782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.774782 (E_RNA) where: Base-Base interactions energy: -1825.004 where: short stacking energy: -801.223 Base-Backbone interact. energy: -3.911 local terms energy: -857.859958 where: bonds (distance) C4'-P energy: -163.221 bonds (distance) P-C4' energy: -162.543 flat angles C4'-P-C4' energy: -184.020 flat angles P-C4'-P energy: -109.058 tors. eta vs tors. theta energy: -239.018 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: 6 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2544.747099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.747099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.747099 (E_RNA) where: Base-Base interactions energy: -1722.082 where: short stacking energy: -771.739 Base-Backbone interact. energy: 0.081 local terms energy: -822.746664 where: bonds (distance) C4'-P energy: -143.297 bonds (distance) P-C4' energy: -160.056 flat angles C4'-P-C4' energy: -174.434 flat angles P-C4'-P energy: -106.705 tors. eta vs tors. theta energy: -238.254 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: 1 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2446.825319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.825319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.825319 (E_RNA) where: Base-Base interactions energy: -1614.914 where: short stacking energy: -734.980 Base-Backbone interact. energy: -0.063 local terms energy: -831.847897 where: bonds (distance) C4'-P energy: -167.615 bonds (distance) P-C4' energy: -144.804 flat angles C4'-P-C4' energy: -177.945 flat angles P-C4'-P energy: -124.599 tors. eta vs tors. theta energy: -216.885 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: 9 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2246.474285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.474285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.474285 (E_RNA) where: Base-Base interactions energy: -1510.108 where: short stacking energy: -696.283 Base-Backbone interact. energy: -1.508 local terms energy: -734.858008 where: bonds (distance) C4'-P energy: -132.698 bonds (distance) P-C4' energy: -144.309 flat angles C4'-P-C4' energy: -168.317 flat angles P-C4'-P energy: -109.502 tors. eta vs tors. theta energy: -180.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2119.573215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.573215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.573215 (E_RNA) where: Base-Base interactions energy: -1400.261 where: short stacking energy: -608.309 Base-Backbone interact. energy: 3.807 local terms energy: -723.118792 where: bonds (distance) C4'-P energy: -151.010 bonds (distance) P-C4' energy: -165.855 flat angles C4'-P-C4' energy: -146.238 flat angles P-C4'-P energy: -102.822 tors. eta vs tors. theta energy: -157.194 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: 6, replica: 2 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1846.488250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.488250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.488250 (E_RNA) where: Base-Base interactions energy: -1186.039 where: short stacking energy: -517.073 Base-Backbone interact. energy: -2.277 local terms energy: -658.171941 where: bonds (distance) C4'-P energy: -143.034 bonds (distance) P-C4' energy: -158.933 flat angles C4'-P-C4' energy: -137.429 flat angles P-C4'-P energy: -94.954 tors. eta vs tors. theta energy: -123.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1797.981882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.981882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.981882 (E_RNA) where: Base-Base interactions energy: -1160.785 where: short stacking energy: -516.953 Base-Backbone interact. energy: -2.687 local terms energy: -634.509928 where: bonds (distance) C4'-P energy: -142.766 bonds (distance) P-C4' energy: -149.873 flat angles C4'-P-C4' energy: -143.042 flat angles P-C4'-P energy: -89.103 tors. eta vs tors. theta energy: -109.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1177.130488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.130488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.130488 (E_RNA) where: Base-Base interactions energy: -684.599 where: short stacking energy: -362.801 Base-Backbone interact. energy: 4.644 local terms energy: -497.176091 where: bonds (distance) C4'-P energy: -116.336 bonds (distance) P-C4' energy: -133.860 flat angles C4'-P-C4' energy: -133.369 flat angles P-C4'-P energy: -81.602 tors. eta vs tors. theta energy: -32.010 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: 9, replica: 10 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -970.228694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.228694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.228694 (E_RNA) where: Base-Base interactions energy: -513.669 where: short stacking energy: -290.810 Base-Backbone interact. energy: -1.263 local terms energy: -455.296995 where: bonds (distance) C4'-P energy: -131.715 bonds (distance) P-C4' energy: -126.223 flat angles C4'-P-C4' energy: -93.050 flat angles P-C4'-P energy: -89.986 tors. eta vs tors. theta energy: -14.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -648.547859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.547859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.547859 (E_RNA) where: Base-Base interactions energy: -229.854 where: short stacking energy: -184.648 Base-Backbone interact. energy: 4.190 local terms energy: -422.883382 where: bonds (distance) C4'-P energy: -138.036 bonds (distance) P-C4' energy: -137.875 flat angles C4'-P-C4' energy: -92.673 flat angles P-C4'-P energy: -71.044 tors. eta vs tors. theta energy: 16.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2706.123013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.123013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.123013 (E_RNA) where: Base-Base interactions energy: -1845.095 where: short stacking energy: -804.573 Base-Backbone interact. energy: -0.930 local terms energy: -860.097898 where: bonds (distance) C4'-P energy: -163.117 bonds (distance) P-C4' energy: -156.585 flat angles C4'-P-C4' energy: -193.844 flat angles P-C4'-P energy: -121.523 tors. eta vs tors. theta energy: -225.029 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: 6 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2527.886743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.886743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.886743 (E_RNA) where: Base-Base interactions energy: -1700.569 where: short stacking energy: -752.648 Base-Backbone interact. energy: -3.405 local terms energy: -823.912822 where: bonds (distance) C4'-P energy: -149.454 bonds (distance) P-C4' energy: -163.195 flat angles C4'-P-C4' energy: -180.888 flat angles P-C4'-P energy: -113.674 tors. eta vs tors. theta energy: -216.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2383.967308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.967308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.967308 (E_RNA) where: Base-Base interactions energy: -1570.925 where: short stacking energy: -741.116 Base-Backbone interact. energy: -3.793 local terms energy: -809.250024 where: bonds (distance) C4'-P energy: -148.325 bonds (distance) P-C4' energy: -141.625 flat angles C4'-P-C4' energy: -188.209 flat angles P-C4'-P energy: -120.813 tors. eta vs tors. theta energy: -210.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2185.108613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.108613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.108613 (E_RNA) where: Base-Base interactions energy: -1419.973 where: short stacking energy: -622.092 Base-Backbone interact. energy: -5.308 local terms energy: -759.828428 where: bonds (distance) C4'-P energy: -158.189 bonds (distance) P-C4' energy: -148.333 flat angles C4'-P-C4' energy: -171.647 flat angles P-C4'-P energy: -118.170 tors. eta vs tors. theta energy: -163.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2070.012037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.012037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.012037 (E_RNA) where: Base-Base interactions energy: -1374.345 where: short stacking energy: -597.735 Base-Backbone interact. energy: -1.149 local terms energy: -694.518645 where: bonds (distance) C4'-P energy: -159.749 bonds (distance) P-C4' energy: -137.891 flat angles C4'-P-C4' energy: -153.903 flat angles P-C4'-P energy: -100.761 tors. eta vs tors. theta energy: -142.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1924.624685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.624685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.624685 (E_RNA) where: Base-Base interactions energy: -1280.857 where: short stacking energy: -550.250 Base-Backbone interact. energy: -1.533 local terms energy: -642.234326 where: bonds (distance) C4'-P energy: -117.528 bonds (distance) P-C4' energy: -148.327 flat angles C4'-P-C4' energy: -164.032 flat angles P-C4'-P energy: -89.246 tors. eta vs tors. theta energy: -123.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1758.800066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.800066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.800066 (E_RNA) where: Base-Base interactions energy: -1141.599 where: short stacking energy: -502.479 Base-Backbone interact. energy: 3.818 local terms energy: -621.018467 where: bonds (distance) C4'-P energy: -126.163 bonds (distance) P-C4' energy: -149.859 flat angles C4'-P-C4' energy: -144.530 flat angles P-C4'-P energy: -82.903 tors. eta vs tors. theta energy: -117.563 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: 8 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1140.989733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.989733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.989733 (E_RNA) where: Base-Base interactions energy: -636.832 where: short stacking energy: -322.011 Base-Backbone interact. energy: -1.200 local terms energy: -502.957585 where: bonds (distance) C4'-P energy: -139.988 bonds (distance) P-C4' energy: -146.742 flat angles C4'-P-C4' energy: -126.787 flat angles P-C4'-P energy: -72.212 tors. eta vs tors. theta energy: -17.228 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: 10 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -941.027190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.027190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.027190 (E_RNA) where: Base-Base interactions energy: -463.502 where: short stacking energy: -277.215 Base-Backbone interact. energy: -2.899 local terms energy: -474.626085 where: bonds (distance) C4'-P energy: -121.316 bonds (distance) P-C4' energy: -141.399 flat angles C4'-P-C4' energy: -113.517 flat angles P-C4'-P energy: -73.136 tors. eta vs tors. theta energy: -25.259 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: 7 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -594.966262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.966262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.966262 (E_RNA) where: Base-Base interactions energy: -225.918 where: short stacking energy: -193.436 Base-Backbone interact. energy: 1.106 local terms energy: -370.154838 where: bonds (distance) C4'-P energy: -112.805 bonds (distance) P-C4' energy: -119.134 flat angles C4'-P-C4' energy: -106.625 flat angles P-C4'-P energy: -50.473 tors. eta vs tors. theta energy: 18.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2688.120105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.120105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.120105 (E_RNA) where: Base-Base interactions energy: -1831.371 where: short stacking energy: -805.280 Base-Backbone interact. energy: -3.267 local terms energy: -853.481952 where: bonds (distance) C4'-P energy: -161.716 bonds (distance) P-C4' energy: -161.793 flat angles C4'-P-C4' energy: -187.439 flat angles P-C4'-P energy: -121.336 tors. eta vs tors. theta energy: -221.198 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: 2, replica: 6 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2516.902371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.902371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.902371 (E_RNA) where: Base-Base interactions energy: -1668.469 where: short stacking energy: -742.505 Base-Backbone interact. energy: -1.298 local terms energy: -847.134841 where: bonds (distance) C4'-P energy: -153.870 bonds (distance) P-C4' energy: -162.324 flat angles C4'-P-C4' energy: -184.968 flat angles P-C4'-P energy: -124.892 tors. eta vs tors. theta energy: -221.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2424.954577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.954577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.954577 (E_RNA) where: Base-Base interactions energy: -1631.380 where: short stacking energy: -757.277 Base-Backbone interact. energy: 0.401 local terms energy: -793.974827 where: bonds (distance) C4'-P energy: -140.905 bonds (distance) P-C4' energy: -152.754 flat angles C4'-P-C4' energy: -180.364 flat angles P-C4'-P energy: -111.936 tors. eta vs tors. theta energy: -208.016 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: 9 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2197.953838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.953838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.953838 (E_RNA) where: Base-Base interactions energy: -1441.801 where: short stacking energy: -643.341 Base-Backbone interact. energy: -4.141 local terms energy: -752.011824 where: bonds (distance) C4'-P energy: -151.843 bonds (distance) P-C4' energy: -159.719 flat angles C4'-P-C4' energy: -171.374 flat angles P-C4'-P energy: -112.666 tors. eta vs tors. theta energy: -156.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2048.765962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.765962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.765962 (E_RNA) where: Base-Base interactions energy: -1337.110 where: short stacking energy: -578.339 Base-Backbone interact. energy: -2.600 local terms energy: -709.055792 where: bonds (distance) C4'-P energy: -151.892 bonds (distance) P-C4' energy: -160.315 flat angles C4'-P-C4' energy: -150.695 flat angles P-C4'-P energy: -99.295 tors. eta vs tors. theta energy: -146.859 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: 6, replica: 2 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1929.551958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.551958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.551958 (E_RNA) where: Base-Base interactions energy: -1291.909 where: short stacking energy: -538.730 Base-Backbone interact. energy: 3.599 local terms energy: -641.241499 where: bonds (distance) C4'-P energy: -131.441 bonds (distance) P-C4' energy: -140.808 flat angles C4'-P-C4' energy: -148.632 flat angles P-C4'-P energy: -98.185 tors. eta vs tors. theta energy: -122.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1769.893114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.893114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.893114 (E_RNA) where: Base-Base interactions energy: -1157.749 where: short stacking energy: -514.209 Base-Backbone interact. energy: -1.981 local terms energy: -610.163182 where: bonds (distance) C4'-P energy: -110.230 bonds (distance) P-C4' energy: -134.619 flat angles C4'-P-C4' energy: -148.638 flat angles P-C4'-P energy: -99.059 tors. eta vs tors. theta energy: -117.616 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: 8 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1130.706055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.706055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.706055 (E_RNA) where: Base-Base interactions energy: -634.061 where: short stacking energy: -342.865 Base-Backbone interact. energy: -0.594 local terms energy: -496.051585 where: bonds (distance) C4'-P energy: -136.830 bonds (distance) P-C4' energy: -112.407 flat angles C4'-P-C4' energy: -113.322 flat angles P-C4'-P energy: -92.266 tors. eta vs tors. theta energy: -41.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -917.629926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.629926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.629926 (E_RNA) where: Base-Base interactions energy: -481.711 where: short stacking energy: -279.137 Base-Backbone interact. energy: 7.460 local terms energy: -443.378438 where: bonds (distance) C4'-P energy: -141.290 bonds (distance) P-C4' energy: -126.706 flat angles C4'-P-C4' energy: -121.237 flat angles P-C4'-P energy: -40.943 tors. eta vs tors. theta energy: -13.203 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: 7 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -616.375127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.375127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.375127 (E_RNA) where: Base-Base interactions energy: -207.345 where: short stacking energy: -157.644 Base-Backbone interact. energy: -1.883 local terms energy: -407.147397 where: bonds (distance) C4'-P energy: -131.777 bonds (distance) P-C4' energy: -146.236 flat angles C4'-P-C4' energy: -97.963 flat angles P-C4'-P energy: -60.502 tors. eta vs tors. theta energy: 29.330 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: 205 Temperature: 0.900000 Total energy: -2684.267884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.267884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.267884 (E_RNA) where: Base-Base interactions energy: -1805.202 where: short stacking energy: -790.069 Base-Backbone interact. energy: -1.936 local terms energy: -877.130068 where: bonds (distance) C4'-P energy: -167.437 bonds (distance) P-C4' energy: -171.803 flat angles C4'-P-C4' energy: -189.846 flat angles P-C4'-P energy: -131.924 tors. eta vs tors. theta energy: -216.121 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: 6 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2532.040863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.040863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.040863 (E_RNA) where: Base-Base interactions energy: -1677.874 where: short stacking energy: -753.687 Base-Backbone interact. energy: -3.404 local terms energy: -850.763186 where: bonds (distance) C4'-P energy: -167.325 bonds (distance) P-C4' energy: -152.430 flat angles C4'-P-C4' energy: -183.788 flat angles P-C4'-P energy: -125.725 tors. eta vs tors. theta energy: -221.496 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: 1 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2374.226505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.226505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.226505 (E_RNA) where: Base-Base interactions energy: -1587.427 where: short stacking energy: -715.630 Base-Backbone interact. energy: -5.376 local terms energy: -781.423048 where: bonds (distance) C4'-P energy: -163.059 bonds (distance) P-C4' energy: -143.576 flat angles C4'-P-C4' energy: -152.847 flat angles P-C4'-P energy: -114.019 tors. eta vs tors. theta energy: -207.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2246.195468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.195468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.195468 (E_RNA) where: Base-Base interactions energy: -1508.701 where: short stacking energy: -664.318 Base-Backbone interact. energy: 0.606 local terms energy: -738.100270 where: bonds (distance) C4'-P energy: -132.133 bonds (distance) P-C4' energy: -150.486 flat angles C4'-P-C4' energy: -172.440 flat angles P-C4'-P energy: -104.650 tors. eta vs tors. theta energy: -178.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2049.075667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.075667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.075667 (E_RNA) where: Base-Base interactions energy: -1401.638 where: short stacking energy: -590.926 Base-Backbone interact. energy: -1.634 local terms energy: -645.804441 where: bonds (distance) C4'-P energy: -122.329 bonds (distance) P-C4' energy: -140.669 flat angles C4'-P-C4' energy: -154.713 flat angles P-C4'-P energy: -90.826 tors. eta vs tors. theta energy: -137.268 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: 2 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1905.741929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.741929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.741929 (E_RNA) where: Base-Base interactions energy: -1242.669 where: short stacking energy: -545.730 Base-Backbone interact. energy: -1.721 local terms energy: -661.352147 where: bonds (distance) C4'-P energy: -140.223 bonds (distance) P-C4' energy: -144.513 flat angles C4'-P-C4' energy: -146.852 flat angles P-C4'-P energy: -91.173 tors. eta vs tors. theta energy: -138.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1754.962567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.962567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.962567 (E_RNA) where: Base-Base interactions energy: -1130.288 where: short stacking energy: -518.517 Base-Backbone interact. energy: -2.296 local terms energy: -622.378006 where: bonds (distance) C4'-P energy: -122.482 bonds (distance) P-C4' energy: -132.568 flat angles C4'-P-C4' energy: -154.151 flat angles P-C4'-P energy: -86.676 tors. eta vs tors. theta energy: -126.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1143.140505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.140505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.140505 (E_RNA) where: Base-Base interactions energy: -640.416 where: short stacking energy: -298.621 Base-Backbone interact. energy: -3.002 local terms energy: -499.722635 where: bonds (distance) C4'-P energy: -143.003 bonds (distance) P-C4' energy: -133.842 flat angles C4'-P-C4' energy: -126.029 flat angles P-C4'-P energy: -70.603 tors. eta vs tors. theta energy: -26.247 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: 10 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -894.770525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.770525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.770525 (E_RNA) where: Base-Base interactions energy: -455.588 where: short stacking energy: -259.660 Base-Backbone interact. energy: 8.812 local terms energy: -447.994836 where: bonds (distance) C4'-P energy: -129.412 bonds (distance) P-C4' energy: -133.192 flat angles C4'-P-C4' energy: -106.059 flat angles P-C4'-P energy: -75.297 tors. eta vs tors. theta energy: -4.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -598.597632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.597632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.597632 (E_RNA) where: Base-Base interactions energy: -228.929 where: short stacking energy: -191.042 Base-Backbone interact. energy: 0.834 local terms energy: -370.501860 where: bonds (distance) C4'-P energy: -119.170 bonds (distance) P-C4' energy: -126.411 flat angles C4'-P-C4' energy: -115.092 flat angles P-C4'-P energy: -40.821 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: 1, replica: 3 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2702.354842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.354842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.354842 (E_RNA) where: Base-Base interactions energy: -1848.228 where: short stacking energy: -779.503 Base-Backbone interact. energy: -2.085 local terms energy: -852.041218 where: bonds (distance) C4'-P energy: -166.198 bonds (distance) P-C4' energy: -163.325 flat angles C4'-P-C4' energy: -178.521 flat angles P-C4'-P energy: -121.862 tors. eta vs tors. theta energy: -222.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2525.354258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.354258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.354258 (E_RNA) where: Base-Base interactions energy: -1713.267 where: short stacking energy: -765.195 Base-Backbone interact. energy: -1.446 local terms energy: -810.641193 where: bonds (distance) C4'-P energy: -151.557 bonds (distance) P-C4' energy: -145.664 flat angles C4'-P-C4' energy: -178.814 flat angles P-C4'-P energy: -104.973 tors. eta vs tors. theta energy: -229.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2415.769432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.769432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.769432 (E_RNA) where: Base-Base interactions energy: -1599.952 where: short stacking energy: -735.313 Base-Backbone interact. energy: -2.399 local terms energy: -813.418068 where: bonds (distance) C4'-P energy: -156.673 bonds (distance) P-C4' energy: -163.486 flat angles C4'-P-C4' energy: -168.319 flat angles P-C4'-P energy: -117.001 tors. eta vs tors. theta energy: -207.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2267.704766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.704766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.704766 (E_RNA) where: Base-Base interactions energy: -1512.786 where: short stacking energy: -654.004 Base-Backbone interact. energy: -3.735 local terms energy: -751.183587 where: bonds (distance) C4'-P energy: -157.738 bonds (distance) P-C4' energy: -146.515 flat angles C4'-P-C4' energy: -176.648 flat angles P-C4'-P energy: -90.945 tors. eta vs tors. theta energy: -179.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2065.402885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.402885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.402885 (E_RNA) where: Base-Base interactions energy: -1379.362 where: short stacking energy: -589.160 Base-Backbone interact. energy: -0.561 local terms energy: -685.480618 where: bonds (distance) C4'-P energy: -141.309 bonds (distance) P-C4' energy: -153.009 flat angles C4'-P-C4' energy: -149.154 flat angles P-C4'-P energy: -90.564 tors. eta vs tors. theta energy: -151.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1914.620628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.620628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.620628 (E_RNA) where: Base-Base interactions energy: -1286.785 where: short stacking energy: -562.711 Base-Backbone interact. energy: 2.392 local terms energy: -630.228342 where: bonds (distance) C4'-P energy: -124.400 bonds (distance) P-C4' energy: -125.260 flat angles C4'-P-C4' energy: -139.938 flat angles P-C4'-P energy: -113.744 tors. eta vs tors. theta energy: -126.887 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: 7, replica: 4 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1746.867623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.867623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.867623 (E_RNA) where: Base-Base interactions energy: -1091.193 where: short stacking energy: -485.177 Base-Backbone interact. energy: -4.996 local terms energy: -650.678730 where: bonds (distance) C4'-P energy: -145.279 bonds (distance) P-C4' energy: -161.246 flat angles C4'-P-C4' energy: -149.301 flat angles P-C4'-P energy: -101.484 tors. eta vs tors. theta energy: -93.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1208.404104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.404104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.404104 (E_RNA) where: Base-Base interactions energy: -673.840 where: short stacking energy: -331.923 Base-Backbone interact. energy: 2.723 local terms energy: -537.287455 where: bonds (distance) C4'-P energy: -152.756 bonds (distance) P-C4' energy: -129.362 flat angles C4'-P-C4' energy: -132.176 flat angles P-C4'-P energy: -81.816 tors. eta vs tors. theta energy: -41.178 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: 10 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -866.361448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.361448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.361448 (E_RNA) where: Base-Base interactions energy: -440.540 where: short stacking energy: -247.821 Base-Backbone interact. energy: -0.950 local terms energy: -424.871443 where: bonds (distance) C4'-P energy: -123.171 bonds (distance) P-C4' energy: -140.125 flat angles C4'-P-C4' energy: -105.807 flat angles P-C4'-P energy: -75.814 tors. eta vs tors. theta energy: 20.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -635.612350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.612350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.612350 (E_RNA) where: Base-Base interactions energy: -254.907 where: short stacking energy: -182.790 Base-Backbone interact. energy: 3.615 local terms energy: -384.319624 where: bonds (distance) C4'-P energy: -117.345 bonds (distance) P-C4' energy: -122.722 flat angles C4'-P-C4' energy: -109.778 flat angles P-C4'-P energy: -65.646 tors. eta vs tors. theta energy: 31.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2701.264497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.264497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.264497 (E_RNA) where: Base-Base interactions energy: -1839.448 where: short stacking energy: -779.921 Base-Backbone interact. energy: 0.587 local terms energy: -862.403503 where: bonds (distance) C4'-P energy: -159.210 bonds (distance) P-C4' energy: -174.232 flat angles C4'-P-C4' energy: -192.309 flat angles P-C4'-P energy: -120.815 tors. eta vs tors. theta energy: -215.838 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: 1 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2536.814359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.814359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.814359 (E_RNA) where: Base-Base interactions energy: -1727.266 where: short stacking energy: -802.023 Base-Backbone interact. energy: 0.376 local terms energy: -809.924954 where: bonds (distance) C4'-P energy: -135.634 bonds (distance) P-C4' energy: -142.899 flat angles C4'-P-C4' energy: -161.096 flat angles P-C4'-P energy: -132.472 tors. eta vs tors. theta energy: -237.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2429.107797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.107797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.107797 (E_RNA) where: Base-Base interactions energy: -1620.632 where: short stacking energy: -718.890 Base-Backbone interact. energy: 2.717 local terms energy: -811.192808 where: bonds (distance) C4'-P energy: -145.753 bonds (distance) P-C4' energy: -154.231 flat angles C4'-P-C4' energy: -175.332 flat angles P-C4'-P energy: -117.010 tors. eta vs tors. theta energy: -218.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2254.041997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.041997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.041997 (E_RNA) where: Base-Base interactions energy: -1524.962 where: short stacking energy: -687.303 Base-Backbone interact. energy: -3.528 local terms energy: -725.551284 where: bonds (distance) C4'-P energy: -144.024 bonds (distance) P-C4' energy: -151.457 flat angles C4'-P-C4' energy: -149.615 flat angles P-C4'-P energy: -106.180 tors. eta vs tors. theta energy: -174.275 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: 5, replica: 5 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2069.593548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.593548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.593548 (E_RNA) where: Base-Base interactions energy: -1393.529 where: short stacking energy: -618.695 Base-Backbone interact. energy: -2.735 local terms energy: -673.329514 where: bonds (distance) C4'-P energy: -133.371 bonds (distance) P-C4' energy: -135.771 flat angles C4'-P-C4' energy: -161.082 flat angles P-C4'-P energy: -99.151 tors. eta vs tors. theta energy: -143.955 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: 2 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1906.453008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.453008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.453008 (E_RNA) where: Base-Base interactions energy: -1237.953 where: short stacking energy: -523.172 Base-Backbone interact. energy: 0.189 local terms energy: -668.688915 where: bonds (distance) C4'-P energy: -133.505 bonds (distance) P-C4' energy: -140.434 flat angles C4'-P-C4' energy: -146.341 flat angles P-C4'-P energy: -110.100 tors. eta vs tors. theta energy: -138.309 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: 4 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1736.632288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.632288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.632288 (E_RNA) where: Base-Base interactions energy: -1156.969 where: short stacking energy: -511.398 Base-Backbone interact. energy: -0.428 local terms energy: -579.235736 where: bonds (distance) C4'-P energy: -108.720 bonds (distance) P-C4' energy: -158.892 flat angles C4'-P-C4' energy: -123.799 flat angles P-C4'-P energy: -73.785 tors. eta vs tors. theta energy: -114.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1165.491287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.491287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.491287 (E_RNA) where: Base-Base interactions energy: -663.158 where: short stacking energy: -352.284 Base-Backbone interact. energy: -0.726 local terms energy: -501.606840 where: bonds (distance) C4'-P energy: -128.913 bonds (distance) P-C4' energy: -128.377 flat angles C4'-P-C4' energy: -130.828 flat angles P-C4'-P energy: -77.499 tors. eta vs tors. theta energy: -35.989 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: 10 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -883.723904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.723904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.723904 (E_RNA) where: Base-Base interactions energy: -442.197 where: short stacking energy: -257.225 Base-Backbone interact. energy: -3.801 local terms energy: -437.725884 where: bonds (distance) C4'-P energy: -116.502 bonds (distance) P-C4' energy: -127.625 flat angles C4'-P-C4' energy: -107.376 flat angles P-C4'-P energy: -81.934 tors. eta vs tors. theta energy: -4.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -648.508809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.508809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.508809 (E_RNA) where: Base-Base interactions energy: -256.557 where: short stacking energy: -178.179 Base-Backbone interact. energy: 0.691 local terms energy: -392.642331 where: bonds (distance) C4'-P energy: -144.160 bonds (distance) P-C4' energy: -131.950 flat angles C4'-P-C4' energy: -90.079 flat angles P-C4'-P energy: -47.736 tors. eta vs tors. theta energy: 21.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2703.650929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.650929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.650929 (E_RNA) where: Base-Base interactions energy: -1861.476 where: short stacking energy: -806.698 Base-Backbone interact. energy: -4.931 local terms energy: -837.243038 where: bonds (distance) C4'-P energy: -146.626 bonds (distance) P-C4' energy: -161.035 flat angles C4'-P-C4' energy: -192.088 flat angles P-C4'-P energy: -117.357 tors. eta vs tors. theta energy: -220.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2518.829662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.829662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.829662 (E_RNA) where: Base-Base interactions energy: -1683.656 where: short stacking energy: -781.720 Base-Backbone interact. energy: -1.955 local terms energy: -833.218604 where: bonds (distance) C4'-P energy: -169.332 bonds (distance) P-C4' energy: -150.488 flat angles C4'-P-C4' energy: -172.529 flat angles P-C4'-P energy: -119.413 tors. eta vs tors. theta energy: -221.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2412.707961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.707961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.707961 (E_RNA) where: Base-Base interactions energy: -1596.777 where: short stacking energy: -722.341 Base-Backbone interact. energy: -5.479 local terms energy: -810.452154 where: bonds (distance) C4'-P energy: -152.388 bonds (distance) P-C4' energy: -157.732 flat angles C4'-P-C4' energy: -179.889 flat angles P-C4'-P energy: -111.744 tors. eta vs tors. theta energy: -208.699 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: 9 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2246.956285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.956285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.956285 (E_RNA) where: Base-Base interactions energy: -1504.436 where: short stacking energy: -674.300 Base-Backbone interact. energy: 3.575 local terms energy: -746.095619 where: bonds (distance) C4'-P energy: -145.338 bonds (distance) P-C4' energy: -144.345 flat angles C4'-P-C4' energy: -178.039 flat angles P-C4'-P energy: -105.246 tors. eta vs tors. theta energy: -173.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2102.282186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.282186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.282186 (E_RNA) where: Base-Base interactions energy: -1424.341 where: short stacking energy: -622.204 Base-Backbone interact. energy: 1.349 local terms energy: -679.290184 where: bonds (distance) C4'-P energy: -127.111 bonds (distance) P-C4' energy: -151.371 flat angles C4'-P-C4' energy: -156.113 flat angles P-C4'-P energy: -101.609 tors. eta vs tors. theta energy: -143.086 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: 2 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1876.307326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.307326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.307326 (E_RNA) where: Base-Base interactions energy: -1244.036 where: short stacking energy: -527.299 Base-Backbone interact. energy: 0.799 local terms energy: -633.069931 where: bonds (distance) C4'-P energy: -142.250 bonds (distance) P-C4' energy: -137.734 flat angles C4'-P-C4' energy: -146.321 flat angles P-C4'-P energy: -90.541 tors. eta vs tors. theta energy: -116.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1764.126693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.126693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.126693 (E_RNA) where: Base-Base interactions energy: -1128.412 where: short stacking energy: -507.980 Base-Backbone interact. energy: 1.504 local terms energy: -637.218079 where: bonds (distance) C4'-P energy: -150.406 bonds (distance) P-C4' energy: -150.989 flat angles C4'-P-C4' energy: -127.093 flat angles P-C4'-P energy: -94.262 tors. eta vs tors. theta energy: -114.468 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: 8 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1173.098517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.098517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.098517 (E_RNA) where: Base-Base interactions energy: -649.705 where: short stacking energy: -322.289 Base-Backbone interact. energy: -1.744 local terms energy: -521.649693 where: bonds (distance) C4'-P energy: -141.110 bonds (distance) P-C4' energy: -150.868 flat angles C4'-P-C4' energy: -133.533 flat angles P-C4'-P energy: -65.559 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: 9, replica: 10 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -913.759318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.759318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.759318 (E_RNA) where: Base-Base interactions energy: -458.389 where: short stacking energy: -256.179 Base-Backbone interact. energy: 5.449 local terms energy: -460.820001 where: bonds (distance) C4'-P energy: -123.455 bonds (distance) P-C4' energy: -140.188 flat angles C4'-P-C4' energy: -132.954 flat angles P-C4'-P energy: -59.600 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: 10, replica: 7 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -613.031530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.031530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.031530 (E_RNA) where: Base-Base interactions energy: -230.843 where: short stacking energy: -158.426 Base-Backbone interact. energy: 3.818 local terms energy: -386.006799 where: bonds (distance) C4'-P energy: -125.219 bonds (distance) P-C4' energy: -141.009 flat angles C4'-P-C4' energy: -96.515 flat angles P-C4'-P energy: -67.396 tors. eta vs tors. theta energy: 44.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2705.190011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.190011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.190011 (E_RNA) where: Base-Base interactions energy: -1838.676 where: short stacking energy: -826.195 Base-Backbone interact. energy: -2.287 local terms energy: -864.226746 where: bonds (distance) C4'-P energy: -164.742 bonds (distance) P-C4' energy: -154.105 flat angles C4'-P-C4' energy: -198.391 flat angles P-C4'-P energy: -121.780 tors. eta vs tors. theta energy: -225.210 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: 2, replica: 1 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2552.588287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.588287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.588287 (E_RNA) where: Base-Base interactions energy: -1701.259 where: short stacking energy: -759.788 Base-Backbone interact. energy: -2.188 local terms energy: -849.141067 where: bonds (distance) C4'-P energy: -159.073 bonds (distance) P-C4' energy: -154.040 flat angles C4'-P-C4' energy: -187.468 flat angles P-C4'-P energy: -130.007 tors. eta vs tors. theta energy: -218.554 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: 6 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2392.898500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.898500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.898500 (E_RNA) where: Base-Base interactions energy: -1600.112 where: short stacking energy: -751.173 Base-Backbone interact. energy: -5.158 local terms energy: -787.628967 where: bonds (distance) C4'-P energy: -148.610 bonds (distance) P-C4' energy: -143.981 flat angles C4'-P-C4' energy: -180.293 flat angles P-C4'-P energy: -105.036 tors. eta vs tors. theta energy: -209.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2240.798975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.798975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.798975 (E_RNA) where: Base-Base interactions energy: -1523.091 where: short stacking energy: -727.836 Base-Backbone interact. energy: 1.030 local terms energy: -718.737444 where: bonds (distance) C4'-P energy: -138.117 bonds (distance) P-C4' energy: -144.747 flat angles C4'-P-C4' energy: -153.810 flat angles P-C4'-P energy: -99.804 tors. eta vs tors. theta energy: -182.260 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: 5 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2067.613355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.613355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.613355 (E_RNA) where: Base-Base interactions energy: -1371.575 where: short stacking energy: -598.390 Base-Backbone interact. energy: -2.053 local terms energy: -693.984571 where: bonds (distance) C4'-P energy: -153.143 bonds (distance) P-C4' energy: -153.167 flat angles C4'-P-C4' energy: -156.143 flat angles P-C4'-P energy: -91.807 tors. eta vs tors. theta energy: -139.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -2012.118139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.118139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.118139 (E_RNA) where: Base-Base interactions energy: -1342.221 where: short stacking energy: -568.644 Base-Backbone interact. energy: 0.282 local terms energy: -670.178961 where: bonds (distance) C4'-P energy: -133.147 bonds (distance) P-C4' energy: -174.791 flat angles C4'-P-C4' energy: -139.474 flat angles P-C4'-P energy: -92.772 tors. eta vs tors. theta energy: -129.994 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: 7, replica: 4 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1727.896777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.896777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.896777 (E_RNA) where: Base-Base interactions energy: -1095.034 where: short stacking energy: -464.010 Base-Backbone interact. energy: 5.892 local terms energy: -638.754885 where: bonds (distance) C4'-P energy: -145.544 bonds (distance) P-C4' energy: -142.725 flat angles C4'-P-C4' energy: -151.554 flat angles P-C4'-P energy: -96.662 tors. eta vs tors. theta energy: -102.269 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: 8 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1203.961683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.961683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.961683 (E_RNA) where: Base-Base interactions energy: -691.268 where: short stacking energy: -336.814 Base-Backbone interact. energy: -3.306 local terms energy: -509.388322 where: bonds (distance) C4'-P energy: -138.903 bonds (distance) P-C4' energy: -139.035 flat angles C4'-P-C4' energy: -124.933 flat angles P-C4'-P energy: -77.847 tors. eta vs tors. theta energy: -28.669 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: 9, replica: 10 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -967.231029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.231029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.231029 (E_RNA) where: Base-Base interactions energy: -479.363 where: short stacking energy: -280.277 Base-Backbone interact. energy: -3.275 local terms energy: -484.592551 where: bonds (distance) C4'-P energy: -143.006 bonds (distance) P-C4' energy: -130.749 flat angles C4'-P-C4' energy: -136.739 flat angles P-C4'-P energy: -67.758 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: 10, replica: 7 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -609.250154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.250154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.250154 (E_RNA) where: Base-Base interactions energy: -223.899 where: short stacking energy: -180.897 Base-Backbone interact. energy: -1.409 local terms energy: -383.942301 where: bonds (distance) C4'-P energy: -108.559 bonds (distance) P-C4' energy: -130.302 flat angles C4'-P-C4' energy: -101.811 flat angles P-C4'-P energy: -60.854 tors. eta vs tors. theta energy: 17.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2682.810037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.810037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.810037 (E_RNA) where: Base-Base interactions energy: -1834.559 where: short stacking energy: -788.898 Base-Backbone interact. energy: -2.802 local terms energy: -845.449771 where: bonds (distance) C4'-P energy: -150.523 bonds (distance) P-C4' energy: -162.010 flat angles C4'-P-C4' energy: -186.845 flat angles P-C4'-P energy: -122.267 tors. eta vs tors. theta energy: -223.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2556.218153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.218153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.218153 (E_RNA) where: Base-Base interactions energy: -1727.261 where: short stacking energy: -805.274 Base-Backbone interact. energy: -2.532 local terms energy: -826.425410 where: bonds (distance) C4'-P energy: -151.130 bonds (distance) P-C4' energy: -153.930 flat angles C4'-P-C4' energy: -182.443 flat angles P-C4'-P energy: -111.224 tors. eta vs tors. theta energy: -227.698 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: 210 Temperature: 1.000000 Total energy: -2448.030752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.030752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.030752 (E_RNA) where: Base-Base interactions energy: -1627.559 where: short stacking energy: -744.669 Base-Backbone interact. energy: -4.037 local terms energy: -816.433887 where: bonds (distance) C4'-P energy: -160.997 bonds (distance) P-C4' energy: -153.009 flat angles C4'-P-C4' energy: -165.477 flat angles P-C4'-P energy: -118.698 tors. eta vs tors. theta energy: -218.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2261.435766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.435766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.435766 (E_RNA) where: Base-Base interactions energy: -1529.052 where: short stacking energy: -657.590 Base-Backbone interact. energy: -2.787 local terms energy: -729.596646 where: bonds (distance) C4'-P energy: -141.350 bonds (distance) P-C4' energy: -147.933 flat angles C4'-P-C4' energy: -161.355 flat angles P-C4'-P energy: -106.300 tors. eta vs tors. theta energy: -172.659 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: 210 Temperature: 1.100000 Total energy: -2100.967324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.967324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.967324 (E_RNA) where: Base-Base interactions energy: -1385.655 where: short stacking energy: -602.373 Base-Backbone interact. energy: -4.681 local terms energy: -710.632205 where: bonds (distance) C4'-P energy: -132.412 bonds (distance) P-C4' energy: -167.301 flat angles C4'-P-C4' energy: -153.267 flat angles P-C4'-P energy: -101.937 tors. eta vs tors. theta energy: -155.716 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: 2 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1991.563552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.563552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.563552 (E_RNA) where: Base-Base interactions energy: -1302.113 where: short stacking energy: -565.601 Base-Backbone interact. energy: 2.212 local terms energy: -691.662054 where: bonds (distance) C4'-P energy: -148.183 bonds (distance) P-C4' energy: -164.473 flat angles C4'-P-C4' energy: -149.151 flat angles P-C4'-P energy: -102.202 tors. eta vs tors. theta energy: -127.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1726.536481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.536481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.536481 (E_RNA) where: Base-Base interactions energy: -1075.442 where: short stacking energy: -446.427 Base-Backbone interact. energy: -4.127 local terms energy: -646.967512 where: bonds (distance) C4'-P energy: -144.184 bonds (distance) P-C4' energy: -159.165 flat angles C4'-P-C4' energy: -150.612 flat angles P-C4'-P energy: -88.463 tors. eta vs tors. theta energy: -104.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1243.984111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.984111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.984111 (E_RNA) where: Base-Base interactions energy: -712.620 where: short stacking energy: -349.546 Base-Backbone interact. energy: 0.247 local terms energy: -531.611498 where: bonds (distance) C4'-P energy: -148.852 bonds (distance) P-C4' energy: -142.571 flat angles C4'-P-C4' energy: -130.042 flat angles P-C4'-P energy: -80.302 tors. eta vs tors. theta energy: -29.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -932.754066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.754066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.754066 (E_RNA) where: Base-Base interactions energy: -477.689 where: short stacking energy: -279.456 Base-Backbone interact. energy: -0.088 local terms energy: -454.977426 where: bonds (distance) C4'-P energy: -107.449 bonds (distance) P-C4' energy: -137.090 flat angles C4'-P-C4' energy: -100.231 flat angles P-C4'-P energy: -98.151 tors. eta vs tors. theta energy: -12.057 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: 7 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -617.917037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.917037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.917037 (E_RNA) where: Base-Base interactions energy: -233.225 where: short stacking energy: -172.877 Base-Backbone interact. energy: -2.918 local terms energy: -381.774279 where: bonds (distance) C4'-P energy: -130.880 bonds (distance) P-C4' energy: -124.159 flat angles C4'-P-C4' energy: -95.686 flat angles P-C4'-P energy: -43.939 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: 3 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2674.206259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.206259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.206259 (E_RNA) where: Base-Base interactions energy: -1834.508 where: short stacking energy: -771.028 Base-Backbone interact. energy: 1.761 local terms energy: -841.459913 where: bonds (distance) C4'-P energy: -149.438 bonds (distance) P-C4' energy: -164.863 flat angles C4'-P-C4' energy: -193.362 flat angles P-C4'-P energy: -118.157 tors. eta vs tors. theta energy: -215.639 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: 1 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2562.672141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.672141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.672141 (E_RNA) where: Base-Base interactions energy: -1712.236 where: short stacking energy: -736.651 Base-Backbone interact. energy: 1.763 local terms energy: -852.199544 where: bonds (distance) C4'-P energy: -176.606 bonds (distance) P-C4' energy: -173.334 flat angles C4'-P-C4' energy: -181.715 flat angles P-C4'-P energy: -115.733 tors. eta vs tors. theta energy: -204.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2432.098422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.098422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.098422 (E_RNA) where: Base-Base interactions energy: -1633.353 where: short stacking energy: -731.810 Base-Backbone interact. energy: -2.597 local terms energy: -796.148805 where: bonds (distance) C4'-P energy: -151.990 bonds (distance) P-C4' energy: -150.699 flat angles C4'-P-C4' energy: -175.675 flat angles P-C4'-P energy: -100.207 tors. eta vs tors. theta energy: -217.578 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: 9 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2216.688431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.688431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.688431 (E_RNA) where: Base-Base interactions energy: -1467.343 where: short stacking energy: -664.707 Base-Backbone interact. energy: 1.215 local terms energy: -750.559906 where: bonds (distance) C4'-P energy: -146.645 bonds (distance) P-C4' energy: -157.340 flat angles C4'-P-C4' energy: -155.451 flat angles P-C4'-P energy: -116.448 tors. eta vs tors. theta energy: -174.675 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: 5, replica: 5 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2183.976942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.976942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.976942 (E_RNA) where: Base-Base interactions energy: -1427.921 where: short stacking energy: -654.779 Base-Backbone interact. energy: -3.759 local terms energy: -752.297430 where: bonds (distance) C4'-P energy: -150.057 bonds (distance) P-C4' energy: -159.374 flat angles C4'-P-C4' energy: -162.081 flat angles P-C4'-P energy: -101.554 tors. eta vs tors. theta energy: -179.232 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: 2 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1880.309891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.309891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.309891 (E_RNA) where: Base-Base interactions energy: -1225.643 where: short stacking energy: -516.733 Base-Backbone interact. energy: -0.107 local terms energy: -654.559000 where: bonds (distance) C4'-P energy: -136.769 bonds (distance) P-C4' energy: -152.574 flat angles C4'-P-C4' energy: -132.049 flat angles P-C4'-P energy: -103.553 tors. eta vs tors. theta energy: -129.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1674.666070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.666070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.666070 (E_RNA) where: Base-Base interactions energy: -1096.189 where: short stacking energy: -456.451 Base-Backbone interact. energy: 3.026 local terms energy: -581.503317 where: bonds (distance) C4'-P energy: -122.459 bonds (distance) P-C4' energy: -133.011 flat angles C4'-P-C4' energy: -136.994 flat angles P-C4'-P energy: -93.048 tors. eta vs tors. theta energy: -95.990 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: 8 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1335.771227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.771227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.771227 (E_RNA) where: Base-Base interactions energy: -822.517 where: short stacking energy: -413.815 Base-Backbone interact. energy: -0.446 local terms energy: -512.808101 where: bonds (distance) C4'-P energy: -130.989 bonds (distance) P-C4' energy: -123.595 flat angles C4'-P-C4' energy: -111.809 flat angles P-C4'-P energy: -80.112 tors. eta vs tors. theta energy: -66.304 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: 9, replica: 10 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -964.305919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.305919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.305919 (E_RNA) where: Base-Base interactions energy: -502.892 where: short stacking energy: -289.250 Base-Backbone interact. energy: -0.555 local terms energy: -460.858730 where: bonds (distance) C4'-P energy: -118.202 bonds (distance) P-C4' energy: -129.354 flat angles C4'-P-C4' energy: -107.866 flat angles P-C4'-P energy: -70.331 tors. eta vs tors. theta energy: -35.105 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: 7 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -645.984899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.984899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.984899 (E_RNA) where: Base-Base interactions energy: -239.054 where: short stacking energy: -194.812 Base-Backbone interact. energy: -0.522 local terms energy: -406.408731 where: bonds (distance) C4'-P energy: -118.565 bonds (distance) P-C4' energy: -145.183 flat angles C4'-P-C4' energy: -119.512 flat angles P-C4'-P energy: -54.084 tors. eta vs tors. theta energy: 30.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2696.446146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.446146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.446146 (E_RNA) where: Base-Base interactions energy: -1825.065 where: short stacking energy: -789.795 Base-Backbone interact. energy: -2.230 local terms energy: -869.150269 where: bonds (distance) C4'-P energy: -168.015 bonds (distance) P-C4' energy: -166.279 flat angles C4'-P-C4' energy: -184.088 flat angles P-C4'-P energy: -133.403 tors. eta vs tors. theta energy: -217.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2553.829570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.829570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.829570 (E_RNA) where: Base-Base interactions energy: -1735.368 where: short stacking energy: -772.327 Base-Backbone interact. energy: -4.820 local terms energy: -813.641962 where: bonds (distance) C4'-P energy: -163.289 bonds (distance) P-C4' energy: -157.554 flat angles C4'-P-C4' energy: -175.808 flat angles P-C4'-P energy: -110.050 tors. eta vs tors. theta energy: -206.940 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: 6 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2410.334536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.334536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.334536 (E_RNA) where: Base-Base interactions energy: -1591.183 where: short stacking energy: -720.443 Base-Backbone interact. energy: -4.783 local terms energy: -814.368678 where: bonds (distance) C4'-P energy: -137.007 bonds (distance) P-C4' energy: -160.728 flat angles C4'-P-C4' energy: -175.329 flat angles P-C4'-P energy: -126.532 tors. eta vs tors. theta energy: -214.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2195.181873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.181873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.181873 (E_RNA) where: Base-Base interactions energy: -1476.984 where: short stacking energy: -646.968 Base-Backbone interact. energy: 0.648 local terms energy: -718.844983 where: bonds (distance) C4'-P energy: -148.201 bonds (distance) P-C4' energy: -135.419 flat angles C4'-P-C4' energy: -170.232 flat angles P-C4'-P energy: -102.787 tors. eta vs tors. theta energy: -162.206 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: 5 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2114.383320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.383320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.383320 (E_RNA) where: Base-Base interactions energy: -1407.305 where: short stacking energy: -630.360 Base-Backbone interact. energy: -4.045 local terms energy: -703.033928 where: bonds (distance) C4'-P energy: -125.058 bonds (distance) P-C4' energy: -136.218 flat angles C4'-P-C4' energy: -164.966 flat angles P-C4'-P energy: -111.363 tors. eta vs tors. theta energy: -165.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1865.264133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.264133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.264133 (E_RNA) where: Base-Base interactions energy: -1232.795 where: short stacking energy: -529.855 Base-Backbone interact. energy: -3.320 local terms energy: -629.148308 where: bonds (distance) C4'-P energy: -144.159 bonds (distance) P-C4' energy: -125.501 flat angles C4'-P-C4' energy: -144.962 flat angles P-C4'-P energy: -94.006 tors. eta vs tors. theta energy: -120.521 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: 4 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1736.449979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.449979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.449979 (E_RNA) where: Base-Base interactions energy: -1104.914 where: short stacking energy: -479.357 Base-Backbone interact. energy: 0.231 local terms energy: -631.766565 where: bonds (distance) C4'-P energy: -133.276 bonds (distance) P-C4' energy: -142.160 flat angles C4'-P-C4' energy: -150.641 flat angles P-C4'-P energy: -109.568 tors. eta vs tors. theta energy: -96.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1296.987093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.987093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.987093 (E_RNA) where: Base-Base interactions energy: -724.177 where: short stacking energy: -350.950 Base-Backbone interact. energy: 2.296 local terms energy: -575.106008 where: bonds (distance) C4'-P energy: -125.916 bonds (distance) P-C4' energy: -157.695 flat angles C4'-P-C4' energy: -148.054 flat angles P-C4'-P energy: -84.363 tors. eta vs tors. theta energy: -59.077 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: 10 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -979.987499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.987499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.987499 (E_RNA) where: Base-Base interactions energy: -536.298 where: short stacking energy: -255.668 Base-Backbone interact. energy: 0.418 local terms energy: -444.107575 where: bonds (distance) C4'-P energy: -142.769 bonds (distance) P-C4' energy: -130.528 flat angles C4'-P-C4' energy: -114.157 flat angles P-C4'-P energy: -56.688 tors. eta vs tors. theta energy: 0.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -655.095326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.095326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.095326 (E_RNA) where: Base-Base interactions energy: -259.673 where: short stacking energy: -189.379 Base-Backbone interact. energy: 3.559 local terms energy: -398.981129 where: bonds (distance) C4'-P energy: -108.374 bonds (distance) P-C4' energy: -139.038 flat angles C4'-P-C4' energy: -114.704 flat angles P-C4'-P energy: -68.858 tors. eta vs tors. theta energy: 31.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2721.982130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.982130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.982130 (E_RNA) where: Base-Base interactions energy: -1875.078 where: short stacking energy: -791.731 Base-Backbone interact. energy: -2.434 local terms energy: -844.469991 where: bonds (distance) C4'-P energy: -154.297 bonds (distance) P-C4' energy: -161.544 flat angles C4'-P-C4' energy: -174.970 flat angles P-C4'-P energy: -126.756 tors. eta vs tors. theta energy: -226.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2571.057749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.057749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.057749 (E_RNA) where: Base-Base interactions energy: -1718.137 where: short stacking energy: -764.308 Base-Backbone interact. energy: 3.204 local terms energy: -856.125158 where: bonds (distance) C4'-P energy: -151.965 bonds (distance) P-C4' energy: -157.492 flat angles C4'-P-C4' energy: -182.802 flat angles P-C4'-P energy: -122.950 tors. eta vs tors. theta energy: -240.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2403.517549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.517549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.517549 (E_RNA) where: Base-Base interactions energy: -1591.468 where: short stacking energy: -692.184 Base-Backbone interact. energy: -0.319 local terms energy: -811.730815 where: bonds (distance) C4'-P energy: -144.479 bonds (distance) P-C4' energy: -160.056 flat angles C4'-P-C4' energy: -178.256 flat angles P-C4'-P energy: -117.689 tors. eta vs tors. theta energy: -211.250 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: 9 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2231.249008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.249008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.249008 (E_RNA) where: Base-Base interactions energy: -1494.276 where: short stacking energy: -659.811 Base-Backbone interact. energy: -3.260 local terms energy: -733.713166 where: bonds (distance) C4'-P energy: -149.513 bonds (distance) P-C4' energy: -149.879 flat angles C4'-P-C4' energy: -167.556 flat angles P-C4'-P energy: -109.111 tors. eta vs tors. theta energy: -157.654 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: 5 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2115.266325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.266325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.266325 (E_RNA) where: Base-Base interactions energy: -1384.962 where: short stacking energy: -614.224 Base-Backbone interact. energy: 0.366 local terms energy: -730.670475 where: bonds (distance) C4'-P energy: -133.615 bonds (distance) P-C4' energy: -151.883 flat angles C4'-P-C4' energy: -164.347 flat angles P-C4'-P energy: -115.297 tors. eta vs tors. theta energy: -165.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1839.090935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.090935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.090935 (E_RNA) where: Base-Base interactions energy: -1220.441 where: short stacking energy: -540.213 Base-Backbone interact. energy: 2.515 local terms energy: -621.165378 where: bonds (distance) C4'-P energy: -117.584 bonds (distance) P-C4' energy: -130.201 flat angles C4'-P-C4' energy: -155.548 flat angles P-C4'-P energy: -95.989 tors. eta vs tors. theta energy: -121.843 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: 4 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1659.345594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.345594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.345594 (E_RNA) where: Base-Base interactions energy: -1019.093 where: short stacking energy: -437.408 Base-Backbone interact. energy: -2.780 local terms energy: -637.472156 where: bonds (distance) C4'-P energy: -152.997 bonds (distance) P-C4' energy: -144.886 flat angles C4'-P-C4' energy: -149.964 flat angles P-C4'-P energy: -102.144 tors. eta vs tors. theta energy: -87.482 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: 8, replica: 8 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1284.057084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.057084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.057084 (E_RNA) where: Base-Base interactions energy: -759.426 where: short stacking energy: -377.133 Base-Backbone interact. energy: -1.292 local terms energy: -523.338213 where: bonds (distance) C4'-P energy: -138.277 bonds (distance) P-C4' energy: -127.129 flat angles C4'-P-C4' energy: -121.937 flat angles P-C4'-P energy: -85.361 tors. eta vs tors. theta energy: -50.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1016.706352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.706352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.706352 (E_RNA) where: Base-Base interactions energy: -541.463 where: short stacking energy: -263.830 Base-Backbone interact. energy: 4.026 local terms energy: -479.269160 where: bonds (distance) C4'-P energy: -146.831 bonds (distance) P-C4' energy: -138.829 flat angles C4'-P-C4' energy: -134.693 flat angles P-C4'-P energy: -63.006 tors. eta vs tors. theta energy: 4.090 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: 7 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -665.355246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.355246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.355246 (E_RNA) where: Base-Base interactions energy: -248.683 where: short stacking energy: -161.775 Base-Backbone interact. energy: -2.201 local terms energy: -414.471095 where: bonds (distance) C4'-P energy: -134.702 bonds (distance) P-C4' energy: -143.098 flat angles C4'-P-C4' energy: -110.256 flat angles P-C4'-P energy: -62.063 tors. eta vs tors. theta energy: 35.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2679.913199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.913199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.913199 (E_RNA) where: Base-Base interactions energy: -1814.992 where: short stacking energy: -788.348 Base-Backbone interact. energy: -3.845 local terms energy: -861.076176 where: bonds (distance) C4'-P energy: -173.767 bonds (distance) P-C4' energy: -163.666 flat angles C4'-P-C4' energy: -188.807 flat angles P-C4'-P energy: -119.789 tors. eta vs tors. theta energy: -215.047 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: 1 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2599.633085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.633085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.633085 (E_RNA) where: Base-Base interactions energy: -1748.087 where: short stacking energy: -773.266 Base-Backbone interact. energy: -0.466 local terms energy: -851.080604 where: bonds (distance) C4'-P energy: -157.171 bonds (distance) P-C4' energy: -157.887 flat angles C4'-P-C4' energy: -184.126 flat angles P-C4'-P energy: -122.187 tors. eta vs tors. theta energy: -229.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2403.783495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.783495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.783495 (E_RNA) where: Base-Base interactions energy: -1592.458 where: short stacking energy: -688.525 Base-Backbone interact. energy: -3.135 local terms energy: -808.190809 where: bonds (distance) C4'-P energy: -158.459 bonds (distance) P-C4' energy: -154.362 flat angles C4'-P-C4' energy: -173.486 flat angles P-C4'-P energy: -115.613 tors. eta vs tors. theta energy: -206.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2261.755992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.755992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.755992 (E_RNA) where: Base-Base interactions energy: -1505.614 where: short stacking energy: -659.683 Base-Backbone interact. energy: -3.280 local terms energy: -752.862067 where: bonds (distance) C4'-P energy: -148.725 bonds (distance) P-C4' energy: -134.656 flat angles C4'-P-C4' energy: -175.138 flat angles P-C4'-P energy: -118.479 tors. eta vs tors. theta energy: -175.865 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: 5 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2096.905437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.905437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.905437 (E_RNA) where: Base-Base interactions energy: -1396.947 where: short stacking energy: -629.904 Base-Backbone interact. energy: -2.160 local terms energy: -697.797812 where: bonds (distance) C4'-P energy: -135.927 bonds (distance) P-C4' energy: -143.487 flat angles C4'-P-C4' energy: -155.523 flat angles P-C4'-P energy: -92.746 tors. eta vs tors. theta energy: -170.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1845.500350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.500350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.500350 (E_RNA) where: Base-Base interactions energy: -1203.720 where: short stacking energy: -525.877 Base-Backbone interact. energy: -2.105 local terms energy: -639.675715 where: bonds (distance) C4'-P energy: -129.179 bonds (distance) P-C4' energy: -153.568 flat angles C4'-P-C4' energy: -153.216 flat angles P-C4'-P energy: -89.454 tors. eta vs tors. theta energy: -114.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1679.900137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.900137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.900137 (E_RNA) where: Base-Base interactions energy: -1077.323 where: short stacking energy: -449.319 Base-Backbone interact. energy: -1.803 local terms energy: -600.774331 where: bonds (distance) C4'-P energy: -142.536 bonds (distance) P-C4' energy: -158.284 flat angles C4'-P-C4' energy: -114.804 flat angles P-C4'-P energy: -86.101 tors. eta vs tors. theta energy: -99.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1265.222470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.222470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.222470 (E_RNA) where: Base-Base interactions energy: -741.660 where: short stacking energy: -347.809 Base-Backbone interact. energy: -0.976 local terms energy: -522.586346 where: bonds (distance) C4'-P energy: -140.876 bonds (distance) P-C4' energy: -141.076 flat angles C4'-P-C4' energy: -120.991 flat angles P-C4'-P energy: -83.827 tors. eta vs tors. theta energy: -35.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -924.328753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.328753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.328753 (E_RNA) where: Base-Base interactions energy: -480.507 where: short stacking energy: -261.437 Base-Backbone interact. energy: 1.711 local terms energy: -445.533107 where: bonds (distance) C4'-P energy: -122.067 bonds (distance) P-C4' energy: -127.142 flat angles C4'-P-C4' energy: -108.830 flat angles P-C4'-P energy: -86.478 tors. eta vs tors. theta energy: -1.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -664.281246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.281246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.281246 (E_RNA) where: Base-Base interactions energy: -234.023 where: short stacking energy: -168.527 Base-Backbone interact. energy: -2.106 local terms energy: -428.152486 where: bonds (distance) C4'-P energy: -130.985 bonds (distance) P-C4' energy: -135.345 flat angles C4'-P-C4' energy: -95.353 flat angles P-C4'-P energy: -75.521 tors. eta vs tors. theta energy: 9.051 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: 3 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2673.287011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.287011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.287011 (E_RNA) where: Base-Base interactions energy: -1807.231 where: short stacking energy: -782.686 Base-Backbone interact. energy: -2.009 local terms energy: -864.047344 where: bonds (distance) C4'-P energy: -167.521 bonds (distance) P-C4' energy: -148.725 flat angles C4'-P-C4' energy: -178.363 flat angles P-C4'-P energy: -144.675 tors. eta vs tors. theta energy: -224.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2587.968004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.968004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.968004 (E_RNA) where: Base-Base interactions energy: -1743.877 where: short stacking energy: -776.379 Base-Backbone interact. energy: -1.197 local terms energy: -842.894216 where: bonds (distance) C4'-P energy: -141.364 bonds (distance) P-C4' energy: -163.725 flat angles C4'-P-C4' energy: -193.000 flat angles P-C4'-P energy: -129.961 tors. eta vs tors. theta energy: -214.843 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: 6 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2452.825160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.825160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.825160 (E_RNA) where: Base-Base interactions energy: -1625.932 where: short stacking energy: -767.316 Base-Backbone interact. energy: -3.838 local terms energy: -823.055653 where: bonds (distance) C4'-P energy: -150.122 bonds (distance) P-C4' energy: -160.507 flat angles C4'-P-C4' energy: -174.836 flat angles P-C4'-P energy: -120.302 tors. eta vs tors. theta energy: -217.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2283.330461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.330461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.330461 (E_RNA) where: Base-Base interactions energy: -1531.364 where: short stacking energy: -676.223 Base-Backbone interact. energy: -5.641 local terms energy: -746.325468 where: bonds (distance) C4'-P energy: -136.948 bonds (distance) P-C4' energy: -137.561 flat angles C4'-P-C4' energy: -170.106 flat angles P-C4'-P energy: -127.277 tors. eta vs tors. theta energy: -174.434 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: 5 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2100.901486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.901486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.901486 (E_RNA) where: Base-Base interactions energy: -1354.410 where: short stacking energy: -643.226 Base-Backbone interact. energy: -1.703 local terms energy: -744.788710 where: bonds (distance) C4'-P energy: -152.029 bonds (distance) P-C4' energy: -146.072 flat angles C4'-P-C4' energy: -174.908 flat angles P-C4'-P energy: -108.340 tors. eta vs tors. theta energy: -163.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1866.405899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.405899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.405899 (E_RNA) where: Base-Base interactions energy: -1221.543 where: short stacking energy: -521.652 Base-Backbone interact. energy: -7.953 local terms energy: -636.909829 where: bonds (distance) C4'-P energy: -135.219 bonds (distance) P-C4' energy: -147.752 flat angles C4'-P-C4' energy: -160.111 flat angles P-C4'-P energy: -87.111 tors. eta vs tors. theta energy: -106.716 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: 4 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1632.357005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.357005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.357005 (E_RNA) where: Base-Base interactions energy: -1022.044 where: short stacking energy: -438.054 Base-Backbone interact. energy: -2.982 local terms energy: -607.330326 where: bonds (distance) C4'-P energy: -137.439 bonds (distance) P-C4' energy: -134.115 flat angles C4'-P-C4' energy: -131.855 flat angles P-C4'-P energy: -106.007 tors. eta vs tors. theta energy: -97.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1340.810988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.810988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.810988 (E_RNA) where: Base-Base interactions energy: -782.327 where: short stacking energy: -368.033 Base-Backbone interact. energy: 0.832 local terms energy: -559.315499 where: bonds (distance) C4'-P energy: -137.269 bonds (distance) P-C4' energy: -136.782 flat angles C4'-P-C4' energy: -140.344 flat angles P-C4'-P energy: -87.285 tors. eta vs tors. theta energy: -57.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -954.448011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.448011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.448011 (E_RNA) where: Base-Base interactions energy: -506.945 where: short stacking energy: -293.755 Base-Backbone interact. energy: -1.459 local terms energy: -446.043570 where: bonds (distance) C4'-P energy: -135.857 bonds (distance) P-C4' energy: -117.615 flat angles C4'-P-C4' energy: -128.058 flat angles P-C4'-P energy: -62.288 tors. eta vs tors. theta energy: -2.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -622.206375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.206375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.206375 (E_RNA) where: Base-Base interactions energy: -200.373 where: short stacking energy: -150.264 Base-Backbone interact. energy: 2.384 local terms energy: -424.217938 where: bonds (distance) C4'-P energy: -131.527 bonds (distance) P-C4' energy: -145.950 flat angles C4'-P-C4' energy: -116.532 flat angles P-C4'-P energy: -66.664 tors. eta vs tors. theta energy: 36.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2640.096528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.096528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.096528 (E_RNA) where: Base-Base interactions energy: -1814.794 where: short stacking energy: -777.660 Base-Backbone interact. energy: -0.831 local terms energy: -824.471511 where: bonds (distance) C4'-P energy: -142.578 bonds (distance) P-C4' energy: -160.284 flat angles C4'-P-C4' energy: -183.490 flat angles P-C4'-P energy: -122.854 tors. eta vs tors. theta energy: -215.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2578.378599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.378599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.378599 (E_RNA) where: Base-Base interactions energy: -1752.971 where: short stacking energy: -777.400 Base-Backbone interact. energy: -4.282 local terms energy: -821.124792 where: bonds (distance) C4'-P energy: -152.572 bonds (distance) P-C4' energy: -164.925 flat angles C4'-P-C4' energy: -171.349 flat angles P-C4'-P energy: -108.579 tors. eta vs tors. theta energy: -223.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2453.357192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.357192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.357192 (E_RNA) where: Base-Base interactions energy: -1649.234 where: short stacking energy: -742.810 Base-Backbone interact. energy: 3.888 local terms energy: -808.011479 where: bonds (distance) C4'-P energy: -161.799 bonds (distance) P-C4' energy: -144.083 flat angles C4'-P-C4' energy: -177.195 flat angles P-C4'-P energy: -108.704 tors. eta vs tors. theta energy: -216.230 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: 9 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2312.406467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.406467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.406467 (E_RNA) where: Base-Base interactions energy: -1559.801 where: short stacking energy: -705.362 Base-Backbone interact. energy: 3.817 local terms energy: -756.422532 where: bonds (distance) C4'-P energy: -147.613 bonds (distance) P-C4' energy: -156.298 flat angles C4'-P-C4' energy: -158.549 flat angles P-C4'-P energy: -116.855 tors. eta vs tors. theta energy: -177.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2058.672126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.672126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.672126 (E_RNA) where: Base-Base interactions energy: -1338.119 where: short stacking energy: -623.483 Base-Backbone interact. energy: 2.001 local terms energy: -722.554364 where: bonds (distance) C4'-P energy: -129.548 bonds (distance) P-C4' energy: -155.281 flat angles C4'-P-C4' energy: -161.983 flat angles P-C4'-P energy: -110.221 tors. eta vs tors. theta energy: -165.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1840.775961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.775961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.775961 (E_RNA) where: Base-Base interactions energy: -1182.625 where: short stacking energy: -536.102 Base-Backbone interact. energy: 0.837 local terms energy: -658.988228 where: bonds (distance) C4'-P energy: -140.706 bonds (distance) P-C4' energy: -149.092 flat angles C4'-P-C4' energy: -152.963 flat angles P-C4'-P energy: -106.629 tors. eta vs tors. theta energy: -109.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1647.914139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.914139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.914139 (E_RNA) where: Base-Base interactions energy: -1052.532 where: short stacking energy: -466.691 Base-Backbone interact. energy: -3.745 local terms energy: -591.637079 where: bonds (distance) C4'-P energy: -132.104 bonds (distance) P-C4' energy: -136.809 flat angles C4'-P-C4' energy: -153.808 flat angles P-C4'-P energy: -89.780 tors. eta vs tors. theta energy: -79.136 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: 216 Temperature: 1.250000 Total energy: -1274.428889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.428889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.428889 (E_RNA) where: Base-Base interactions energy: -790.288 where: short stacking energy: -369.732 Base-Backbone interact. energy: 8.888 local terms energy: -493.028932 where: bonds (distance) C4'-P energy: -119.964 bonds (distance) P-C4' energy: -123.671 flat angles C4'-P-C4' energy: -128.130 flat angles P-C4'-P energy: -72.090 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: 9, replica: 7 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -684.310468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.310468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.310468 (E_RNA) where: Base-Base interactions energy: -254.014 where: short stacking energy: -183.192 Base-Backbone interact. energy: 6.942 local terms energy: -437.238521 where: bonds (distance) C4'-P energy: -137.452 bonds (distance) P-C4' energy: -139.690 flat angles C4'-P-C4' energy: -124.733 flat angles P-C4'-P energy: -70.158 tors. eta vs tors. theta energy: 34.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -795.086145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.086145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.086145 (E_RNA) where: Base-Base interactions energy: -379.742 where: short stacking energy: -208.205 Base-Backbone interact. energy: 1.190 local terms energy: -416.534910 where: bonds (distance) C4'-P energy: -100.302 bonds (distance) P-C4' energy: -167.573 flat angles C4'-P-C4' energy: -94.905 flat angles P-C4'-P energy: -77.767 tors. eta vs tors. theta energy: 24.012 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: 217 Temperature: 0.900000 Total energy: -2678.841554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.841554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.841554 (E_RNA) where: Base-Base interactions energy: -1848.471 where: short stacking energy: -776.493 Base-Backbone interact. energy: -3.784 local terms energy: -826.586361 where: bonds (distance) C4'-P energy: -158.566 bonds (distance) P-C4' energy: -164.410 flat angles C4'-P-C4' energy: -181.932 flat angles P-C4'-P energy: -104.496 tors. eta vs tors. theta energy: -217.182 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: 1 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2600.047509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.047509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.047509 (E_RNA) where: Base-Base interactions energy: -1767.417 where: short stacking energy: -771.266 Base-Backbone interact. energy: -0.047 local terms energy: -832.583296 where: bonds (distance) C4'-P energy: -133.214 bonds (distance) P-C4' energy: -165.650 flat angles C4'-P-C4' energy: -191.577 flat angles P-C4'-P energy: -127.437 tors. eta vs tors. theta energy: -214.705 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: 6 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2428.723848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.723848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.723848 (E_RNA) where: Base-Base interactions energy: -1625.308 where: short stacking energy: -751.236 Base-Backbone interact. energy: -1.950 local terms energy: -801.465451 where: bonds (distance) C4'-P energy: -149.167 bonds (distance) P-C4' energy: -156.903 flat angles C4'-P-C4' energy: -170.453 flat angles P-C4'-P energy: -107.761 tors. eta vs tors. theta energy: -217.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2233.378576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.378576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.378576 (E_RNA) where: Base-Base interactions energy: -1472.469 where: short stacking energy: -645.995 Base-Backbone interact. energy: -2.472 local terms energy: -758.437440 where: bonds (distance) C4'-P energy: -155.754 bonds (distance) P-C4' energy: -149.277 flat angles C4'-P-C4' energy: -168.924 flat angles P-C4'-P energy: -117.790 tors. eta vs tors. theta energy: -166.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2060.819603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.819603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.819603 (E_RNA) where: Base-Base interactions energy: -1362.124 where: short stacking energy: -608.338 Base-Backbone interact. energy: -3.716 local terms energy: -694.979913 where: bonds (distance) C4'-P energy: -130.015 bonds (distance) P-C4' energy: -158.363 flat angles C4'-P-C4' energy: -158.964 flat angles P-C4'-P energy: -97.228 tors. eta vs tors. theta energy: -150.410 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: 2 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1850.891251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.891251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.891251 (E_RNA) where: Base-Base interactions energy: -1223.691 where: short stacking energy: -552.989 Base-Backbone interact. energy: 1.591 local terms energy: -628.791335 where: bonds (distance) C4'-P energy: -126.107 bonds (distance) P-C4' energy: -137.793 flat angles C4'-P-C4' energy: -168.167 flat angles P-C4'-P energy: -90.667 tors. eta vs tors. theta energy: -106.057 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: 4 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1780.185232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.185232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.185232 (E_RNA) where: Base-Base interactions energy: -1149.793 where: short stacking energy: -478.290 Base-Backbone interact. energy: -1.223 local terms energy: -629.169392 where: bonds (distance) C4'-P energy: -130.468 bonds (distance) P-C4' energy: -152.042 flat angles C4'-P-C4' energy: -140.909 flat angles P-C4'-P energy: -87.161 tors. eta vs tors. theta energy: -118.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1283.926481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.926481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.926481 (E_RNA) where: Base-Base interactions energy: -777.289 where: short stacking energy: -366.681 Base-Backbone interact. energy: 7.353 local terms energy: -513.990746 where: bonds (distance) C4'-P energy: -129.094 bonds (distance) P-C4' energy: -141.918 flat angles C4'-P-C4' energy: -135.918 flat angles P-C4'-P energy: -70.403 tors. eta vs tors. theta energy: -36.657 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: 7 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -745.156118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.156118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.156118 (E_RNA) where: Base-Base interactions energy: -276.905 where: short stacking energy: -217.616 Base-Backbone interact. energy: -2.685 local terms energy: -465.566064 where: bonds (distance) C4'-P energy: -141.734 bonds (distance) P-C4' energy: -145.148 flat angles C4'-P-C4' energy: -127.368 flat angles P-C4'-P energy: -69.575 tors. eta vs tors. theta energy: 18.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -654.422870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.422870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.422870 (E_RNA) where: Base-Base interactions energy: -236.416 where: short stacking energy: -180.139 Base-Backbone interact. energy: 0.501 local terms energy: -418.508583 where: bonds (distance) C4'-P energy: -122.573 bonds (distance) P-C4' energy: -124.351 flat angles C4'-P-C4' energy: -101.181 flat angles P-C4'-P energy: -77.272 tors. eta vs tors. theta energy: 6.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2706.997226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.997226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.997226 (E_RNA) where: Base-Base interactions energy: -1859.574 where: short stacking energy: -772.829 Base-Backbone interact. energy: 2.299 local terms energy: -849.722550 where: bonds (distance) C4'-P energy: -166.369 bonds (distance) P-C4' energy: -157.555 flat angles C4'-P-C4' energy: -169.911 flat angles P-C4'-P energy: -135.508 tors. eta vs tors. theta energy: -220.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2602.024428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.024428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.024428 (E_RNA) where: Base-Base interactions energy: -1737.484 where: short stacking energy: -775.764 Base-Backbone interact. energy: -1.520 local terms energy: -863.020347 where: bonds (distance) C4'-P energy: -158.952 bonds (distance) P-C4' energy: -159.011 flat angles C4'-P-C4' energy: -180.914 flat angles P-C4'-P energy: -137.257 tors. eta vs tors. theta energy: -226.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2447.928073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.928073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.928073 (E_RNA) where: Base-Base interactions energy: -1622.174 where: short stacking energy: -715.849 Base-Backbone interact. energy: -4.024 local terms energy: -821.730272 where: bonds (distance) C4'-P energy: -154.610 bonds (distance) P-C4' energy: -166.249 flat angles C4'-P-C4' energy: -181.236 flat angles P-C4'-P energy: -100.355 tors. eta vs tors. theta energy: -219.280 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: 9 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2172.298107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.298107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.298107 (E_RNA) where: Base-Base interactions energy: -1448.433 where: short stacking energy: -639.027 Base-Backbone interact. energy: -4.710 local terms energy: -719.155592 where: bonds (distance) C4'-P energy: -127.454 bonds (distance) P-C4' energy: -156.288 flat angles C4'-P-C4' energy: -162.859 flat angles P-C4'-P energy: -118.724 tors. eta vs tors. theta energy: -153.831 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: 5 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2072.345907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.345907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.345907 (E_RNA) where: Base-Base interactions energy: -1342.159 where: short stacking energy: -626.020 Base-Backbone interact. energy: -3.390 local terms energy: -726.796937 where: bonds (distance) C4'-P energy: -143.114 bonds (distance) P-C4' energy: -157.984 flat angles C4'-P-C4' energy: -167.704 flat angles P-C4'-P energy: -97.339 tors. eta vs tors. theta energy: -160.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1856.704205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.704205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.704205 (E_RNA) where: Base-Base interactions energy: -1217.182 where: short stacking energy: -547.415 Base-Backbone interact. energy: 0.563 local terms energy: -640.085287 where: bonds (distance) C4'-P energy: -129.936 bonds (distance) P-C4' energy: -151.876 flat angles C4'-P-C4' energy: -154.617 flat angles P-C4'-P energy: -88.353 tors. eta vs tors. theta energy: -115.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1836.179789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.179789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.179789 (E_RNA) where: Base-Base interactions energy: -1201.366 where: short stacking energy: -533.791 Base-Backbone interact. energy: 1.035 local terms energy: -635.848751 where: bonds (distance) C4'-P energy: -125.238 bonds (distance) P-C4' energy: -153.448 flat angles C4'-P-C4' energy: -146.284 flat angles P-C4'-P energy: -90.755 tors. eta vs tors. theta energy: -120.124 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: 8 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1345.046225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.046225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.046225 (E_RNA) where: Base-Base interactions energy: -814.874 where: short stacking energy: -383.326 Base-Backbone interact. energy: 2.959 local terms energy: -533.130896 where: bonds (distance) C4'-P energy: -141.974 bonds (distance) P-C4' energy: -119.823 flat angles C4'-P-C4' energy: -145.411 flat angles P-C4'-P energy: -81.245 tors. eta vs tors. theta energy: -44.677 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: 10 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -693.810834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.810834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.810834 (E_RNA) where: Base-Base interactions energy: -311.445 where: short stacking energy: -213.136 Base-Backbone interact. energy: 0.121 local terms energy: -382.487237 where: bonds (distance) C4'-P energy: -108.788 bonds (distance) P-C4' energy: -126.781 flat angles C4'-P-C4' energy: -97.362 flat angles P-C4'-P energy: -73.316 tors. eta vs tors. theta energy: 23.760 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: 7 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -677.414823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.414823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.414823 (E_RNA) where: Base-Base interactions energy: -280.592 where: short stacking energy: -210.176 Base-Backbone interact. energy: -1.716 local terms energy: -395.107456 where: bonds (distance) C4'-P energy: -142.931 bonds (distance) P-C4' energy: -115.989 flat angles C4'-P-C4' energy: -100.513 flat angles P-C4'-P energy: -46.859 tors. eta vs tors. theta energy: 11.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2681.621984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.621984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.621984 (E_RNA) where: Base-Base interactions energy: -1837.200 where: short stacking energy: -750.922 Base-Backbone interact. energy: -4.530 local terms energy: -839.892518 where: bonds (distance) C4'-P energy: -166.321 bonds (distance) P-C4' energy: -163.297 flat angles C4'-P-C4' energy: -175.620 flat angles P-C4'-P energy: -123.707 tors. eta vs tors. theta energy: -210.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2587.787456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.787456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.787456 (E_RNA) where: Base-Base interactions energy: -1757.206 where: short stacking energy: -784.817 Base-Backbone interact. energy: -1.993 local terms energy: -828.588753 where: bonds (distance) C4'-P energy: -151.675 bonds (distance) P-C4' energy: -164.756 flat angles C4'-P-C4' energy: -175.206 flat angles P-C4'-P energy: -121.982 tors. eta vs tors. theta energy: -214.970 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: 6 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2439.373972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.373972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.373972 (E_RNA) where: Base-Base interactions energy: -1609.535 where: short stacking energy: -738.652 Base-Backbone interact. energy: -4.924 local terms energy: -824.914728 where: bonds (distance) C4'-P energy: -161.421 bonds (distance) P-C4' energy: -165.550 flat angles C4'-P-C4' energy: -166.455 flat angles P-C4'-P energy: -113.849 tors. eta vs tors. theta energy: -217.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2190.760234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.760234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.760234 (E_RNA) where: Base-Base interactions energy: -1445.822 where: short stacking energy: -656.434 Base-Backbone interact. energy: 0.150 local terms energy: -745.088408 where: bonds (distance) C4'-P energy: -142.023 bonds (distance) P-C4' energy: -153.109 flat angles C4'-P-C4' energy: -165.438 flat angles P-C4'-P energy: -117.378 tors. eta vs tors. theta energy: -167.140 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: 5 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2075.919372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.919372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.919372 (E_RNA) where: Base-Base interactions energy: -1377.454 where: short stacking energy: -616.658 Base-Backbone interact. energy: 1.904 local terms energy: -700.369586 where: bonds (distance) C4'-P energy: -132.607 bonds (distance) P-C4' energy: -152.917 flat angles C4'-P-C4' energy: -165.827 flat angles P-C4'-P energy: -106.785 tors. eta vs tors. theta energy: -142.233 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: 2 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1872.998684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.998684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.998684 (E_RNA) where: Base-Base interactions energy: -1210.165 where: short stacking energy: -513.707 Base-Backbone interact. energy: -2.929 local terms energy: -659.904738 where: bonds (distance) C4'-P energy: -149.928 bonds (distance) P-C4' energy: -147.064 flat angles C4'-P-C4' energy: -149.923 flat angles P-C4'-P energy: -100.848 tors. eta vs tors. theta energy: -112.143 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: 7, replica: 4 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1803.887473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.887473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.887473 (E_RNA) where: Base-Base interactions energy: -1213.582 where: short stacking energy: -513.824 Base-Backbone interact. energy: -2.330 local terms energy: -587.975247 where: bonds (distance) C4'-P energy: -117.154 bonds (distance) P-C4' energy: -121.344 flat angles C4'-P-C4' energy: -146.748 flat angles P-C4'-P energy: -94.739 tors. eta vs tors. theta energy: -107.990 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: 8 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1378.446934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.446934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.446934 (E_RNA) where: Base-Base interactions energy: -824.038 where: short stacking energy: -408.183 Base-Backbone interact. energy: -3.051 local terms energy: -551.358666 where: bonds (distance) C4'-P energy: -123.044 bonds (distance) P-C4' energy: -142.747 flat angles C4'-P-C4' energy: -130.206 flat angles P-C4'-P energy: -82.832 tors. eta vs tors. theta energy: -72.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -728.354521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.354521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.354521 (E_RNA) where: Base-Base interactions energy: -268.958 where: short stacking energy: -217.145 Base-Backbone interact. energy: -0.219 local terms energy: -459.177101 where: bonds (distance) C4'-P energy: -123.397 bonds (distance) P-C4' energy: -137.634 flat angles C4'-P-C4' energy: -122.146 flat angles P-C4'-P energy: -80.126 tors. eta vs tors. theta energy: 4.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -658.520106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.520106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.520106 (E_RNA) where: Base-Base interactions energy: -243.174 where: short stacking energy: -179.830 Base-Backbone interact. energy: 4.648 local terms energy: -419.993477 where: bonds (distance) C4'-P energy: -131.077 bonds (distance) P-C4' energy: -142.298 flat angles C4'-P-C4' energy: -113.431 flat angles P-C4'-P energy: -62.444 tors. eta vs tors. theta energy: 29.257 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: 3 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2691.940566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.940566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.940566 (E_RNA) where: Base-Base interactions energy: -1874.436 where: short stacking energy: -777.855 Base-Backbone interact. energy: -3.444 local terms energy: -814.060477 where: bonds (distance) C4'-P energy: -159.400 bonds (distance) P-C4' energy: -154.594 flat angles C4'-P-C4' energy: -165.501 flat angles P-C4'-P energy: -121.503 tors. eta vs tors. theta energy: -213.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2634.155493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.155493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.155493 (E_RNA) where: Base-Base interactions energy: -1772.685 where: short stacking energy: -795.703 Base-Backbone interact. energy: -5.205 local terms energy: -856.265251 where: bonds (distance) C4'-P energy: -155.906 bonds (distance) P-C4' energy: -159.487 flat angles C4'-P-C4' energy: -188.742 flat angles P-C4'-P energy: -113.147 tors. eta vs tors. theta energy: -238.983 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: 6 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2420.339935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.339935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.339935 (E_RNA) where: Base-Base interactions energy: -1598.210 where: short stacking energy: -749.060 Base-Backbone interact. energy: -4.294 local terms energy: -817.836088 where: bonds (distance) C4'-P energy: -163.718 bonds (distance) P-C4' energy: -169.165 flat angles C4'-P-C4' energy: -163.818 flat angles P-C4'-P energy: -114.367 tors. eta vs tors. theta energy: -206.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2210.765167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.765167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.765167 (E_RNA) where: Base-Base interactions energy: -1480.085 where: short stacking energy: -639.461 Base-Backbone interact. energy: -3.499 local terms energy: -727.181107 where: bonds (distance) C4'-P energy: -138.122 bonds (distance) P-C4' energy: -150.153 flat angles C4'-P-C4' energy: -164.458 flat angles P-C4'-P energy: -111.971 tors. eta vs tors. theta energy: -162.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2091.690849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.690849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.690849 (E_RNA) where: Base-Base interactions energy: -1384.553 where: short stacking energy: -603.087 Base-Backbone interact. energy: 2.124 local terms energy: -709.261772 where: bonds (distance) C4'-P energy: -145.822 bonds (distance) P-C4' energy: -150.409 flat angles C4'-P-C4' energy: -150.417 flat angles P-C4'-P energy: -104.362 tors. eta vs tors. theta energy: -158.252 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: 6, replica: 2 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1899.916015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.916015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.916015 (E_RNA) where: Base-Base interactions energy: -1214.747 where: short stacking energy: -545.467 Base-Backbone interact. energy: -2.355 local terms energy: -682.813707 where: bonds (distance) C4'-P energy: -152.613 bonds (distance) P-C4' energy: -153.910 flat angles C4'-P-C4' energy: -149.305 flat angles P-C4'-P energy: -93.822 tors. eta vs tors. theta energy: -133.164 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: 7, replica: 4 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1872.011471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.011471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.011471 (E_RNA) where: Base-Base interactions energy: -1271.189 where: short stacking energy: -528.623 Base-Backbone interact. energy: -4.381 local terms energy: -596.441243 where: bonds (distance) C4'-P energy: -123.143 bonds (distance) P-C4' energy: -135.405 flat angles C4'-P-C4' energy: -141.689 flat angles P-C4'-P energy: -83.346 tors. eta vs tors. theta energy: -112.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1310.474932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.474932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.474932 (E_RNA) where: Base-Base interactions energy: -718.339 where: short stacking energy: -344.618 Base-Backbone interact. energy: -4.828 local terms energy: -587.308235 where: bonds (distance) C4'-P energy: -140.821 bonds (distance) P-C4' energy: -155.173 flat angles C4'-P-C4' energy: -142.515 flat angles P-C4'-P energy: -83.093 tors. eta vs tors. theta energy: -65.706 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: 9, replica: 10 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -735.522214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.522214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.522214 (E_RNA) where: Base-Base interactions energy: -278.638 where: short stacking energy: -196.075 Base-Backbone interact. energy: 0.001 local terms energy: -456.885983 where: bonds (distance) C4'-P energy: -143.182 bonds (distance) P-C4' energy: -117.403 flat angles C4'-P-C4' energy: -113.767 flat angles P-C4'-P energy: -97.353 tors. eta vs tors. theta energy: 14.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -632.675211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.675211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.675211 (E_RNA) where: Base-Base interactions energy: -226.689 where: short stacking energy: -197.783 Base-Backbone interact. energy: 7.270 local terms energy: -413.256242 where: bonds (distance) C4'-P energy: -119.113 bonds (distance) P-C4' energy: -128.802 flat angles C4'-P-C4' energy: -124.180 flat angles P-C4'-P energy: -61.983 tors. eta vs tors. theta energy: 20.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2726.055896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.055896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.055896 (E_RNA) where: Base-Base interactions energy: -1883.297 where: short stacking energy: -783.854 Base-Backbone interact. energy: 1.205 local terms energy: -843.964396 where: bonds (distance) C4'-P energy: -158.441 bonds (distance) P-C4' energy: -160.876 flat angles C4'-P-C4' energy: -187.327 flat angles P-C4'-P energy: -119.353 tors. eta vs tors. theta energy: -217.968 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: 1 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2596.210678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.210678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.210678 (E_RNA) where: Base-Base interactions energy: -1769.116 where: short stacking energy: -768.735 Base-Backbone interact. energy: -1.763 local terms energy: -825.332065 where: bonds (distance) C4'-P energy: -144.358 bonds (distance) P-C4' energy: -152.386 flat angles C4'-P-C4' energy: -188.831 flat angles P-C4'-P energy: -119.833 tors. eta vs tors. theta energy: -219.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2444.061039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.061039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.061039 (E_RNA) where: Base-Base interactions energy: -1657.793 where: short stacking energy: -729.588 Base-Backbone interact. energy: 0.505 local terms energy: -786.773013 where: bonds (distance) C4'-P energy: -163.278 bonds (distance) P-C4' energy: -146.770 flat angles C4'-P-C4' energy: -161.522 flat angles P-C4'-P energy: -99.092 tors. eta vs tors. theta energy: -216.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2210.468833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.468833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.468833 (E_RNA) where: Base-Base interactions energy: -1475.036 where: short stacking energy: -669.769 Base-Backbone interact. energy: -0.571 local terms energy: -734.861943 where: bonds (distance) C4'-P energy: -133.587 bonds (distance) P-C4' energy: -143.047 flat angles C4'-P-C4' energy: -167.111 flat angles P-C4'-P energy: -112.608 tors. eta vs tors. theta energy: -178.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2094.736627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.736627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.736627 (E_RNA) where: Base-Base interactions energy: -1387.116 where: short stacking energy: -622.458 Base-Backbone interact. energy: -6.197 local terms energy: -701.423102 where: bonds (distance) C4'-P energy: -144.598 bonds (distance) P-C4' energy: -149.067 flat angles C4'-P-C4' energy: -159.964 flat angles P-C4'-P energy: -93.407 tors. eta vs tors. theta energy: -154.388 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: 2 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1935.265028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.265028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.265028 (E_RNA) where: Base-Base interactions energy: -1267.524 where: short stacking energy: -536.455 Base-Backbone interact. energy: -0.285 local terms energy: -667.455988 where: bonds (distance) C4'-P energy: -127.636 bonds (distance) P-C4' energy: -171.392 flat angles C4'-P-C4' energy: -138.827 flat angles P-C4'-P energy: -93.808 tors. eta vs tors. theta energy: -135.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1814.434489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.434489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.434489 (E_RNA) where: Base-Base interactions energy: -1215.814 where: short stacking energy: -520.688 Base-Backbone interact. energy: 2.181 local terms energy: -600.801303 where: bonds (distance) C4'-P energy: -133.946 bonds (distance) P-C4' energy: -145.750 flat angles C4'-P-C4' energy: -143.311 flat angles P-C4'-P energy: -78.655 tors. eta vs tors. theta energy: -99.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1341.039505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.039505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.039505 (E_RNA) where: Base-Base interactions energy: -810.527 where: short stacking energy: -382.732 Base-Backbone interact. energy: 0.005 local terms energy: -530.517476 where: bonds (distance) C4'-P energy: -140.485 bonds (distance) P-C4' energy: -136.468 flat angles C4'-P-C4' energy: -117.968 flat angles P-C4'-P energy: -83.243 tors. eta vs tors. theta energy: -52.353 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: 10 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -746.289646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.289646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.289646 (E_RNA) where: Base-Base interactions energy: -312.464 where: short stacking energy: -214.141 Base-Backbone interact. energy: 3.808 local terms energy: -437.633737 where: bonds (distance) C4'-P energy: -136.560 bonds (distance) P-C4' energy: -158.522 flat angles C4'-P-C4' energy: -105.866 flat angles P-C4'-P energy: -59.836 tors. eta vs tors. theta energy: 23.151 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: 7 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -635.672327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.672327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.672327 (E_RNA) where: Base-Base interactions energy: -262.234 where: short stacking energy: -181.781 Base-Backbone interact. energy: 3.391 local terms energy: -376.829689 where: bonds (distance) C4'-P energy: -107.030 bonds (distance) P-C4' energy: -131.907 flat angles C4'-P-C4' energy: -110.491 flat angles P-C4'-P energy: -54.248 tors. eta vs tors. theta energy: 26.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2724.692554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.692554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.692554 (E_RNA) where: Base-Base interactions energy: -1870.523 where: short stacking energy: -762.878 Base-Backbone interact. energy: -6.448 local terms energy: -847.720952 where: bonds (distance) C4'-P energy: -153.405 bonds (distance) P-C4' energy: -171.143 flat angles C4'-P-C4' energy: -192.269 flat angles P-C4'-P energy: -116.906 tors. eta vs tors. theta energy: -213.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2565.154873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.154873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.154873 (E_RNA) where: Base-Base interactions energy: -1732.678 where: short stacking energy: -756.554 Base-Backbone interact. energy: -4.858 local terms energy: -827.618181 where: bonds (distance) C4'-P energy: -156.409 bonds (distance) P-C4' energy: -155.780 flat angles C4'-P-C4' energy: -169.671 flat angles P-C4'-P energy: -126.442 tors. eta vs tors. theta energy: -219.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2428.628792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.628792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.628792 (E_RNA) where: Base-Base interactions energy: -1629.864 where: short stacking energy: -736.462 Base-Backbone interact. energy: 5.155 local terms energy: -803.920092 where: bonds (distance) C4'-P energy: -148.220 bonds (distance) P-C4' energy: -153.033 flat angles C4'-P-C4' energy: -168.658 flat angles P-C4'-P energy: -127.319 tors. eta vs tors. theta energy: -206.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2226.571428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.571428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.571428 (E_RNA) where: Base-Base interactions energy: -1496.196 where: short stacking energy: -644.654 Base-Backbone interact. energy: -0.321 local terms energy: -730.054863 where: bonds (distance) C4'-P energy: -142.802 bonds (distance) P-C4' energy: -164.398 flat angles C4'-P-C4' energy: -166.506 flat angles P-C4'-P energy: -94.286 tors. eta vs tors. theta energy: -162.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2049.730931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.730931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.730931 (E_RNA) where: Base-Base interactions energy: -1358.362 where: short stacking energy: -596.059 Base-Backbone interact. energy: -3.210 local terms energy: -688.159010 where: bonds (distance) C4'-P energy: -143.441 bonds (distance) P-C4' energy: -162.419 flat angles C4'-P-C4' energy: -158.653 flat angles P-C4'-P energy: -94.125 tors. eta vs tors. theta energy: -129.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1906.459398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.459398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.459398 (E_RNA) where: Base-Base interactions energy: -1266.773 where: short stacking energy: -552.988 Base-Backbone interact. energy: -2.395 local terms energy: -637.291768 where: bonds (distance) C4'-P energy: -119.972 bonds (distance) P-C4' energy: -145.129 flat angles C4'-P-C4' energy: -157.443 flat angles P-C4'-P energy: -91.228 tors. eta vs tors. theta energy: -123.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1825.287295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.287295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.287295 (E_RNA) where: Base-Base interactions energy: -1208.188 where: short stacking energy: -540.683 Base-Backbone interact. energy: -0.319 local terms energy: -616.779832 where: bonds (distance) C4'-P energy: -121.254 bonds (distance) P-C4' energy: -141.216 flat angles C4'-P-C4' energy: -150.964 flat angles P-C4'-P energy: -85.997 tors. eta vs tors. theta energy: -117.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1360.058852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.058852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.058852 (E_RNA) where: Base-Base interactions energy: -814.887 where: short stacking energy: -394.639 Base-Backbone interact. energy: 4.865 local terms energy: -550.036877 where: bonds (distance) C4'-P energy: -134.751 bonds (distance) P-C4' energy: -161.739 flat angles C4'-P-C4' energy: -128.041 flat angles P-C4'-P energy: -71.752 tors. eta vs tors. theta energy: -53.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -721.435036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.435036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.435036 (E_RNA) where: Base-Base interactions energy: -315.690 where: short stacking energy: -262.694 Base-Backbone interact. energy: 5.707 local terms energy: -411.451801 where: bonds (distance) C4'-P energy: -134.725 bonds (distance) P-C4' energy: -106.298 flat angles C4'-P-C4' energy: -105.536 flat angles P-C4'-P energy: -78.466 tors. eta vs tors. theta energy: 13.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -612.830405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.830405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.830405 (E_RNA) where: Base-Base interactions energy: -221.736 where: short stacking energy: -196.832 Base-Backbone interact. energy: -0.815 local terms energy: -390.278974 where: bonds (distance) C4'-P energy: -131.540 bonds (distance) P-C4' energy: -121.097 flat angles C4'-P-C4' energy: -120.861 flat angles P-C4'-P energy: -52.613 tors. eta vs tors. theta energy: 35.832 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: 3 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2724.020642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.020642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.020642 (E_RNA) where: Base-Base interactions energy: -1861.314 where: short stacking energy: -765.650 Base-Backbone interact. energy: -2.547 local terms energy: -860.160594 where: bonds (distance) C4'-P energy: -163.155 bonds (distance) P-C4' energy: -159.601 flat angles C4'-P-C4' energy: -181.758 flat angles P-C4'-P energy: -128.427 tors. eta vs tors. theta energy: -227.219 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: 2, replica: 1 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2581.951842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.951842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.951842 (E_RNA) where: Base-Base interactions energy: -1737.939 where: short stacking energy: -783.761 Base-Backbone interact. energy: -6.434 local terms energy: -837.579294 where: bonds (distance) C4'-P energy: -152.532 bonds (distance) P-C4' energy: -150.703 flat angles C4'-P-C4' energy: -176.290 flat angles P-C4'-P energy: -122.901 tors. eta vs tors. theta energy: -235.153 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: 6 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2412.005356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.005356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.005356 (E_RNA) where: Base-Base interactions energy: -1612.369 where: short stacking energy: -759.304 Base-Backbone interact. energy: -3.381 local terms energy: -796.254917 where: bonds (distance) C4'-P energy: -130.536 bonds (distance) P-C4' energy: -150.959 flat angles C4'-P-C4' energy: -179.703 flat angles P-C4'-P energy: -109.667 tors. eta vs tors. theta energy: -225.390 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: 9 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2270.492989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.492989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.492989 (E_RNA) where: Base-Base interactions energy: -1504.604 where: short stacking energy: -700.478 Base-Backbone interact. energy: -3.377 local terms energy: -762.512879 where: bonds (distance) C4'-P energy: -157.747 bonds (distance) P-C4' energy: -136.895 flat angles C4'-P-C4' energy: -167.855 flat angles P-C4'-P energy: -124.431 tors. eta vs tors. theta energy: -175.584 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: 5, replica: 5 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2068.691532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.691532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.691532 (E_RNA) where: Base-Base interactions energy: -1371.822 where: short stacking energy: -608.647 Base-Backbone interact. energy: -4.498 local terms energy: -692.371721 where: bonds (distance) C4'-P energy: -152.098 bonds (distance) P-C4' energy: -159.164 flat angles C4'-P-C4' energy: -157.659 flat angles P-C4'-P energy: -95.203 tors. eta vs tors. theta energy: -128.247 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: 223 Temperature: 1.150000 Total energy: -1953.170179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.170179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.170179 (E_RNA) where: Base-Base interactions energy: -1311.713 where: short stacking energy: -607.455 Base-Backbone interact. energy: -3.314 local terms energy: -638.142985 where: bonds (distance) C4'-P energy: -114.331 bonds (distance) P-C4' energy: -131.541 flat angles C4'-P-C4' energy: -162.611 flat angles P-C4'-P energy: -93.174 tors. eta vs tors. theta energy: -136.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1813.923309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.923309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.923309 (E_RNA) where: Base-Base interactions energy: -1196.683 where: short stacking energy: -525.018 Base-Backbone interact. energy: 0.134 local terms energy: -617.374888 where: bonds (distance) C4'-P energy: -124.270 bonds (distance) P-C4' energy: -132.273 flat angles C4'-P-C4' energy: -144.233 flat angles P-C4'-P energy: -93.149 tors. eta vs tors. theta energy: -123.449 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: 8 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1225.921802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.921802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.921802 (E_RNA) where: Base-Base interactions energy: -694.447 where: short stacking energy: -347.856 Base-Backbone interact. energy: -4.767 local terms energy: -526.707678 where: bonds (distance) C4'-P energy: -134.462 bonds (distance) P-C4' energy: -133.464 flat angles C4'-P-C4' energy: -118.036 flat angles P-C4'-P energy: -91.647 tors. eta vs tors. theta energy: -49.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -684.270532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.270532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.270532 (E_RNA) where: Base-Base interactions energy: -284.037 where: short stacking energy: -226.788 Base-Backbone interact. energy: -2.339 local terms energy: -397.894215 where: bonds (distance) C4'-P energy: -121.052 bonds (distance) P-C4' energy: -131.880 flat angles C4'-P-C4' energy: -109.348 flat angles P-C4'-P energy: -50.727 tors. eta vs tors. theta energy: 15.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -652.568246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.568246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.568246 (E_RNA) where: Base-Base interactions energy: -248.527 where: short stacking energy: -179.514 Base-Backbone interact. energy: 6.362 local terms energy: -410.402644 where: bonds (distance) C4'-P energy: -113.676 bonds (distance) P-C4' energy: -130.988 flat angles C4'-P-C4' energy: -109.120 flat angles P-C4'-P energy: -81.967 tors. eta vs tors. theta energy: 25.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2702.663273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.663273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.663273 (E_RNA) where: Base-Base interactions energy: -1876.577 where: short stacking energy: -757.019 Base-Backbone interact. energy: -3.954 local terms energy: -822.132124 where: bonds (distance) C4'-P energy: -145.834 bonds (distance) P-C4' energy: -172.037 flat angles C4'-P-C4' energy: -172.683 flat angles P-C4'-P energy: -127.214 tors. eta vs tors. theta energy: -204.364 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: 1 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2534.809805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.809805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.809805 (E_RNA) where: Base-Base interactions energy: -1718.884 where: short stacking energy: -760.822 Base-Backbone interact. energy: -0.423 local terms energy: -815.502697 where: bonds (distance) C4'-P energy: -155.892 bonds (distance) P-C4' energy: -164.584 flat angles C4'-P-C4' energy: -168.914 flat angles P-C4'-P energy: -114.138 tors. eta vs tors. theta energy: -211.975 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: 6 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2444.387312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.387312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.387312 (E_RNA) where: Base-Base interactions energy: -1638.462 where: short stacking energy: -758.531 Base-Backbone interact. energy: -5.148 local terms energy: -800.777245 where: bonds (distance) C4'-P energy: -130.619 bonds (distance) P-C4' energy: -158.833 flat angles C4'-P-C4' energy: -169.131 flat angles P-C4'-P energy: -129.650 tors. eta vs tors. theta energy: -212.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2237.237434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.237434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.237434 (E_RNA) where: Base-Base interactions energy: -1493.139 where: short stacking energy: -640.807 Base-Backbone interact. energy: -3.705 local terms energy: -740.393153 where: bonds (distance) C4'-P energy: -138.535 bonds (distance) P-C4' energy: -165.904 flat angles C4'-P-C4' energy: -166.303 flat angles P-C4'-P energy: -106.096 tors. eta vs tors. theta energy: -163.556 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: 5 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2090.921374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.921374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.921374 (E_RNA) where: Base-Base interactions energy: -1387.720 where: short stacking energy: -589.110 Base-Backbone interact. energy: -1.447 local terms energy: -701.754715 where: bonds (distance) C4'-P energy: -158.954 bonds (distance) P-C4' energy: -153.585 flat angles C4'-P-C4' energy: -146.360 flat angles P-C4'-P energy: -99.295 tors. eta vs tors. theta energy: -143.561 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: 2 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1945.615756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.615756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.615756 (E_RNA) where: Base-Base interactions energy: -1307.426 where: short stacking energy: -525.711 Base-Backbone interact. energy: 2.054 local terms energy: -640.244355 where: bonds (distance) C4'-P energy: -136.494 bonds (distance) P-C4' energy: -153.044 flat angles C4'-P-C4' energy: -152.198 flat angles P-C4'-P energy: -99.023 tors. eta vs tors. theta energy: -99.485 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: 7, replica: 4 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1719.449466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.449466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.449466 (E_RNA) where: Base-Base interactions energy: -1129.960 where: short stacking energy: -490.661 Base-Backbone interact. energy: -1.430 local terms energy: -588.059067 where: bonds (distance) C4'-P energy: -112.507 bonds (distance) P-C4' energy: -128.103 flat angles C4'-P-C4' energy: -147.083 flat angles P-C4'-P energy: -90.299 tors. eta vs tors. theta energy: -110.067 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: 8 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1277.872641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.872641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.872641 (E_RNA) where: Base-Base interactions energy: -750.116 where: short stacking energy: -382.039 Base-Backbone interact. energy: -5.210 local terms energy: -522.546157 where: bonds (distance) C4'-P energy: -134.602 bonds (distance) P-C4' energy: -126.264 flat angles C4'-P-C4' energy: -138.125 flat angles P-C4'-P energy: -75.390 tors. eta vs tors. theta energy: -48.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -694.857880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.857880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.857880 (E_RNA) where: Base-Base interactions energy: -279.584 where: short stacking energy: -208.887 Base-Backbone interact. energy: -4.678 local terms energy: -410.595521 where: bonds (distance) C4'-P energy: -121.587 bonds (distance) P-C4' energy: -129.136 flat angles C4'-P-C4' energy: -110.982 flat angles P-C4'-P energy: -76.349 tors. eta vs tors. theta energy: 27.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -614.711126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.711126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.711126 (E_RNA) where: Base-Base interactions energy: -228.834 where: short stacking energy: -172.419 Base-Backbone interact. energy: -1.572 local terms energy: -384.305407 where: bonds (distance) C4'-P energy: -99.795 bonds (distance) P-C4' energy: -148.430 flat angles C4'-P-C4' energy: -119.990 flat angles P-C4'-P energy: -53.972 tors. eta vs tors. theta energy: 37.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2742.182338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.182338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.182338 (E_RNA) where: Base-Base interactions energy: -1909.336 where: short stacking energy: -789.051 Base-Backbone interact. energy: -3.884 local terms energy: -828.962324 where: bonds (distance) C4'-P energy: -173.092 bonds (distance) P-C4' energy: -144.429 flat angles C4'-P-C4' energy: -172.288 flat angles P-C4'-P energy: -129.722 tors. eta vs tors. theta energy: -209.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2569.419940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.419940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.419940 (E_RNA) where: Base-Base interactions energy: -1739.610 where: short stacking energy: -797.097 Base-Backbone interact. energy: 0.276 local terms energy: -830.085679 where: bonds (distance) C4'-P energy: -152.131 bonds (distance) P-C4' energy: -145.094 flat angles C4'-P-C4' energy: -184.008 flat angles P-C4'-P energy: -126.409 tors. eta vs tors. theta energy: -222.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2415.671316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.671316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.671316 (E_RNA) where: Base-Base interactions energy: -1618.304 where: short stacking energy: -717.469 Base-Backbone interact. energy: -3.178 local terms energy: -794.189763 where: bonds (distance) C4'-P energy: -149.495 bonds (distance) P-C4' energy: -155.040 flat angles C4'-P-C4' energy: -171.236 flat angles P-C4'-P energy: -115.978 tors. eta vs tors. theta energy: -202.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2250.402758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.402758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.402758 (E_RNA) where: Base-Base interactions energy: -1487.198 where: short stacking energy: -687.578 Base-Backbone interact. energy: -3.669 local terms energy: -759.535335 where: bonds (distance) C4'-P energy: -130.149 bonds (distance) P-C4' energy: -134.900 flat angles C4'-P-C4' energy: -182.129 flat angles P-C4'-P energy: -126.493 tors. eta vs tors. theta energy: -185.864 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: 5 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2112.049471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.049471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.049471 (E_RNA) where: Base-Base interactions energy: -1394.876 where: short stacking energy: -617.744 Base-Backbone interact. energy: 3.592 local terms energy: -720.765470 where: bonds (distance) C4'-P energy: -158.278 bonds (distance) P-C4' energy: -153.413 flat angles C4'-P-C4' energy: -155.383 flat angles P-C4'-P energy: -89.405 tors. eta vs tors. theta energy: -164.287 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: 2 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1939.026934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.026934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.026934 (E_RNA) where: Base-Base interactions energy: -1283.730 where: short stacking energy: -536.848 Base-Backbone interact. energy: -4.488 local terms energy: -650.808824 where: bonds (distance) C4'-P energy: -150.368 bonds (distance) P-C4' energy: -142.576 flat angles C4'-P-C4' energy: -152.037 flat angles P-C4'-P energy: -88.937 tors. eta vs tors. theta energy: -116.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1703.196264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.196264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.196264 (E_RNA) where: Base-Base interactions energy: -1123.939 where: short stacking energy: -501.022 Base-Backbone interact. energy: 3.729 local terms energy: -582.986870 where: bonds (distance) C4'-P energy: -138.262 bonds (distance) P-C4' energy: -151.481 flat angles C4'-P-C4' energy: -127.779 flat angles P-C4'-P energy: -84.114 tors. eta vs tors. theta energy: -81.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1276.589721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.589721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.589721 (E_RNA) where: Base-Base interactions energy: -761.224 where: short stacking energy: -351.192 Base-Backbone interact. energy: -1.941 local terms energy: -513.424573 where: bonds (distance) C4'-P energy: -142.033 bonds (distance) P-C4' energy: -150.414 flat angles C4'-P-C4' energy: -120.183 flat angles P-C4'-P energy: -70.721 tors. eta vs tors. theta energy: -30.074 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: 7 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -719.299688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.299688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.299688 (E_RNA) where: Base-Base interactions energy: -293.719 where: short stacking energy: -205.685 Base-Backbone interact. energy: 2.099 local terms energy: -427.679449 where: bonds (distance) C4'-P energy: -119.985 bonds (distance) P-C4' energy: -153.938 flat angles C4'-P-C4' energy: -117.598 flat angles P-C4'-P energy: -53.053 tors. eta vs tors. theta energy: 16.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -607.817219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.817219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.817219 (E_RNA) where: Base-Base interactions energy: -207.184 where: short stacking energy: -141.180 Base-Backbone interact. energy: 9.647 local terms energy: -410.280163 where: bonds (distance) C4'-P energy: -108.355 bonds (distance) P-C4' energy: -138.535 flat angles C4'-P-C4' energy: -118.014 flat angles P-C4'-P energy: -74.239 tors. eta vs tors. theta energy: 28.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2690.236365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.236365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.236365 (E_RNA) where: Base-Base interactions energy: -1854.433 where: short stacking energy: -773.990 Base-Backbone interact. energy: 1.373 local terms energy: -837.175966 where: bonds (distance) C4'-P energy: -177.351 bonds (distance) P-C4' energy: -160.443 flat angles C4'-P-C4' energy: -178.301 flat angles P-C4'-P energy: -119.256 tors. eta vs tors. theta energy: -201.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2564.157196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.157196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.157196 (E_RNA) where: Base-Base interactions energy: -1734.737 where: short stacking energy: -793.584 Base-Backbone interact. energy: -1.245 local terms energy: -828.175583 where: bonds (distance) C4'-P energy: -146.034 bonds (distance) P-C4' energy: -154.393 flat angles C4'-P-C4' energy: -182.224 flat angles P-C4'-P energy: -115.897 tors. eta vs tors. theta energy: -229.627 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: 6 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2437.590754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.590754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.590754 (E_RNA) where: Base-Base interactions energy: -1651.291 where: short stacking energy: -788.715 Base-Backbone interact. energy: -3.951 local terms energy: -782.349085 where: bonds (distance) C4'-P energy: -157.082 bonds (distance) P-C4' energy: -148.592 flat angles C4'-P-C4' energy: -172.408 flat angles P-C4'-P energy: -90.466 tors. eta vs tors. theta energy: -213.801 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: 4, replica: 9 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2310.793467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.793467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.793467 (E_RNA) where: Base-Base interactions energy: -1556.083 where: short stacking energy: -666.047 Base-Backbone interact. energy: 4.429 local terms energy: -759.139274 where: bonds (distance) C4'-P energy: -144.471 bonds (distance) P-C4' energy: -155.229 flat angles C4'-P-C4' energy: -172.197 flat angles P-C4'-P energy: -115.334 tors. eta vs tors. theta energy: -171.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2127.441661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.441661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.441661 (E_RNA) where: Base-Base interactions energy: -1426.643 where: short stacking energy: -618.664 Base-Backbone interact. energy: -1.674 local terms energy: -699.124316 where: bonds (distance) C4'-P energy: -154.501 bonds (distance) P-C4' energy: -157.559 flat angles C4'-P-C4' energy: -157.905 flat angles P-C4'-P energy: -86.611 tors. eta vs tors. theta energy: -142.548 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: 2 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1967.830437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.830437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.830437 (E_RNA) where: Base-Base interactions energy: -1334.785 where: short stacking energy: -573.498 Base-Backbone interact. energy: 3.476 local terms energy: -636.521820 where: bonds (distance) C4'-P energy: -123.711 bonds (distance) P-C4' energy: -141.553 flat angles C4'-P-C4' energy: -143.481 flat angles P-C4'-P energy: -82.191 tors. eta vs tors. theta energy: -145.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1735.705757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.705757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.705757 (E_RNA) where: Base-Base interactions energy: -1106.413 where: short stacking energy: -505.107 Base-Backbone interact. energy: 2.635 local terms energy: -631.927848 where: bonds (distance) C4'-P energy: -143.597 bonds (distance) P-C4' energy: -131.781 flat angles C4'-P-C4' energy: -123.811 flat angles P-C4'-P energy: -103.825 tors. eta vs tors. theta energy: -128.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1332.750639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.750639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.750639 (E_RNA) where: Base-Base interactions energy: -789.692 where: short stacking energy: -380.064 Base-Backbone interact. energy: -3.100 local terms energy: -539.958927 where: bonds (distance) C4'-P energy: -141.759 bonds (distance) P-C4' energy: -128.555 flat angles C4'-P-C4' energy: -142.705 flat angles P-C4'-P energy: -82.952 tors. eta vs tors. theta energy: -43.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -724.805487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.805487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.805487 (E_RNA) where: Base-Base interactions energy: -304.154 where: short stacking energy: -186.496 Base-Backbone interact. energy: 1.020 local terms energy: -421.671323 where: bonds (distance) C4'-P energy: -136.693 bonds (distance) P-C4' energy: -127.017 flat angles C4'-P-C4' energy: -128.608 flat angles P-C4'-P energy: -52.546 tors. eta vs tors. theta energy: 23.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -649.347505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.347505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.347505 (E_RNA) where: Base-Base interactions energy: -236.143 where: short stacking energy: -188.005 Base-Backbone interact. energy: -0.878 local terms energy: -412.326330 where: bonds (distance) C4'-P energy: -144.528 bonds (distance) P-C4' energy: -136.896 flat angles C4'-P-C4' energy: -110.712 flat angles P-C4'-P energy: -46.139 tors. eta vs tors. theta energy: 25.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2685.508416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.508416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.508416 (E_RNA) where: Base-Base interactions energy: -1873.894 where: short stacking energy: -765.759 Base-Backbone interact. energy: -1.786 local terms energy: -809.828895 where: bonds (distance) C4'-P energy: -140.145 bonds (distance) P-C4' energy: -155.024 flat angles C4'-P-C4' energy: -183.262 flat angles P-C4'-P energy: -117.977 tors. eta vs tors. theta energy: -213.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2471.876219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.876219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.876219 (E_RNA) where: Base-Base interactions energy: -1652.141 where: short stacking energy: -743.128 Base-Backbone interact. energy: -2.087 local terms energy: -817.648917 where: bonds (distance) C4'-P energy: -143.182 bonds (distance) P-C4' energy: -160.968 flat angles C4'-P-C4' energy: -187.829 flat angles P-C4'-P energy: -109.387 tors. eta vs tors. theta energy: -216.282 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: 1 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2456.542919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.542919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.542919 (E_RNA) where: Base-Base interactions energy: -1661.417 where: short stacking energy: -771.784 Base-Backbone interact. energy: -0.791 local terms energy: -794.335224 where: bonds (distance) C4'-P energy: -133.585 bonds (distance) P-C4' energy: -160.094 flat angles C4'-P-C4' energy: -167.309 flat angles P-C4'-P energy: -111.824 tors. eta vs tors. theta energy: -221.523 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: 9 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2281.795255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.795255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.795255 (E_RNA) where: Base-Base interactions energy: -1523.103 where: short stacking energy: -662.197 Base-Backbone interact. energy: -3.777 local terms energy: -754.915345 where: bonds (distance) C4'-P energy: -146.972 bonds (distance) P-C4' energy: -166.600 flat angles C4'-P-C4' energy: -166.738 flat angles P-C4'-P energy: -100.705 tors. eta vs tors. theta energy: -173.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2081.198986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.198986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.198986 (E_RNA) where: Base-Base interactions energy: -1366.449 where: short stacking energy: -624.813 Base-Backbone interact. energy: -3.735 local terms energy: -711.014422 where: bonds (distance) C4'-P energy: -140.690 bonds (distance) P-C4' energy: -159.355 flat angles C4'-P-C4' energy: -164.586 flat angles P-C4'-P energy: -96.334 tors. eta vs tors. theta energy: -150.049 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: 2 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1988.219138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.219138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.219138 (E_RNA) where: Base-Base interactions energy: -1316.623 where: short stacking energy: -563.941 Base-Backbone interact. energy: -1.147 local terms energy: -670.449640 where: bonds (distance) C4'-P energy: -154.690 bonds (distance) P-C4' energy: -143.995 flat angles C4'-P-C4' energy: -144.729 flat angles P-C4'-P energy: -100.674 tors. eta vs tors. theta energy: -126.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1658.504973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.504973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.504973 (E_RNA) where: Base-Base interactions energy: -1029.736 where: short stacking energy: -443.983 Base-Backbone interact. energy: -0.860 local terms energy: -627.908959 where: bonds (distance) C4'-P energy: -128.426 bonds (distance) P-C4' energy: -160.599 flat angles C4'-P-C4' energy: -160.132 flat angles P-C4'-P energy: -96.747 tors. eta vs tors. theta energy: -82.005 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: 8 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1267.813128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.813128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.813128 (E_RNA) where: Base-Base interactions energy: -731.559 where: short stacking energy: -363.865 Base-Backbone interact. energy: 10.021 local terms energy: -546.275203 where: bonds (distance) C4'-P energy: -123.039 bonds (distance) P-C4' energy: -157.804 flat angles C4'-P-C4' energy: -131.893 flat angles P-C4'-P energy: -90.593 tors. eta vs tors. theta energy: -42.947 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: 9, replica: 10 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -684.365151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.365151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.365151 (E_RNA) where: Base-Base interactions energy: -233.648 where: short stacking energy: -191.949 Base-Backbone interact. energy: 1.009 local terms energy: -451.726626 where: bonds (distance) C4'-P energy: -125.801 bonds (distance) P-C4' energy: -155.129 flat angles C4'-P-C4' energy: -102.880 flat angles P-C4'-P energy: -75.931 tors. eta vs tors. theta energy: 8.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -681.170877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.170877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.170877 (E_RNA) where: Base-Base interactions energy: -253.788 where: short stacking energy: -196.569 Base-Backbone interact. energy: -0.279 local terms energy: -427.104226 where: bonds (distance) C4'-P energy: -140.428 bonds (distance) P-C4' energy: -122.768 flat angles C4'-P-C4' energy: -109.317 flat angles P-C4'-P energy: -75.566 tors. eta vs tors. theta energy: 20.975 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: 3 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2718.483891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.483891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.483891 (E_RNA) where: Base-Base interactions energy: -1846.573 where: short stacking energy: -754.970 Base-Backbone interact. energy: -1.159 local terms energy: -870.751573 where: bonds (distance) C4'-P energy: -168.527 bonds (distance) P-C4' energy: -169.360 flat angles C4'-P-C4' energy: -183.358 flat angles P-C4'-P energy: -137.339 tors. eta vs tors. theta energy: -212.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2536.710664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.710664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.710664 (E_RNA) where: Base-Base interactions energy: -1696.384 where: short stacking energy: -757.676 Base-Backbone interact. energy: -3.599 local terms energy: -836.727600 where: bonds (distance) C4'-P energy: -166.026 bonds (distance) P-C4' energy: -151.842 flat angles C4'-P-C4' energy: -173.636 flat angles P-C4'-P energy: -134.967 tors. eta vs tors. theta energy: -210.257 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: 1 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2418.150623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.150623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.150623 (E_RNA) where: Base-Base interactions energy: -1602.364 where: short stacking energy: -723.434 Base-Backbone interact. energy: -1.319 local terms energy: -814.468198 where: bonds (distance) C4'-P energy: -158.836 bonds (distance) P-C4' energy: -162.861 flat angles C4'-P-C4' energy: -172.254 flat angles P-C4'-P energy: -109.272 tors. eta vs tors. theta energy: -211.245 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: 9 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2249.059825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.059825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.059825 (E_RNA) where: Base-Base interactions energy: -1503.522 where: short stacking energy: -660.297 Base-Backbone interact. energy: -1.270 local terms energy: -744.268190 where: bonds (distance) C4'-P energy: -152.742 bonds (distance) P-C4' energy: -143.044 flat angles C4'-P-C4' energy: -164.712 flat angles P-C4'-P energy: -116.209 tors. eta vs tors. theta energy: -167.562 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: 2 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2077.290700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.290700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.290700 (E_RNA) where: Base-Base interactions energy: -1407.171 where: short stacking energy: -572.161 Base-Backbone interact. energy: -2.804 local terms energy: -667.316118 where: bonds (distance) C4'-P energy: -128.568 bonds (distance) P-C4' energy: -143.408 flat angles C4'-P-C4' energy: -158.027 flat angles P-C4'-P energy: -105.795 tors. eta vs tors. theta energy: -131.518 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: 5 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2017.210410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.210410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.210410 (E_RNA) where: Base-Base interactions energy: -1315.964 where: short stacking energy: -589.405 Base-Backbone interact. energy: 2.688 local terms energy: -703.934254 where: bonds (distance) C4'-P energy: -145.701 bonds (distance) P-C4' energy: -163.350 flat angles C4'-P-C4' energy: -153.616 flat angles P-C4'-P energy: -102.061 tors. eta vs tors. theta energy: -139.207 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: 4 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1727.073852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.073852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.073852 (E_RNA) where: Base-Base interactions energy: -1136.992 where: short stacking energy: -521.021 Base-Backbone interact. energy: -2.537 local terms energy: -587.544708 where: bonds (distance) C4'-P energy: -118.256 bonds (distance) P-C4' energy: -136.763 flat angles C4'-P-C4' energy: -144.448 flat angles P-C4'-P energy: -81.249 tors. eta vs tors. theta energy: -106.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1219.477781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.477781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.477781 (E_RNA) where: Base-Base interactions energy: -693.990 where: short stacking energy: -333.893 Base-Backbone interact. energy: 1.431 local terms energy: -526.919015 where: bonds (distance) C4'-P energy: -141.378 bonds (distance) P-C4' energy: -142.383 flat angles C4'-P-C4' energy: -119.522 flat angles P-C4'-P energy: -85.296 tors. eta vs tors. theta energy: -38.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -720.915181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.915181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.915181 (E_RNA) where: Base-Base interactions energy: -286.049 where: short stacking energy: -201.119 Base-Backbone interact. energy: 0.762 local terms energy: -435.627976 where: bonds (distance) C4'-P energy: -129.085 bonds (distance) P-C4' energy: -135.703 flat angles C4'-P-C4' energy: -119.666 flat angles P-C4'-P energy: -69.043 tors. eta vs tors. theta energy: 17.869 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: 7 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -664.764201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.764201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.764201 (E_RNA) where: Base-Base interactions energy: -266.611 where: short stacking energy: -172.966 Base-Backbone interact. energy: -0.312 local terms energy: -397.840681 where: bonds (distance) C4'-P energy: -135.061 bonds (distance) P-C4' energy: -139.842 flat angles C4'-P-C4' energy: -102.117 flat angles P-C4'-P energy: -57.440 tors. eta vs tors. theta energy: 36.619 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: 3 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2737.265802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.265802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.265802 (E_RNA) where: Base-Base interactions energy: -1894.342 where: short stacking energy: -761.058 Base-Backbone interact. energy: -3.050 local terms energy: -839.873949 where: bonds (distance) C4'-P energy: -156.139 bonds (distance) P-C4' energy: -184.346 flat angles C4'-P-C4' energy: -187.263 flat angles P-C4'-P energy: -111.763 tors. eta vs tors. theta energy: -200.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2472.930058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.930058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.930058 (E_RNA) where: Base-Base interactions energy: -1668.415 where: short stacking energy: -750.924 Base-Backbone interact. energy: -5.109 local terms energy: -799.406149 where: bonds (distance) C4'-P energy: -137.412 bonds (distance) P-C4' energy: -167.193 flat angles C4'-P-C4' energy: -170.777 flat angles P-C4'-P energy: -123.086 tors. eta vs tors. theta energy: -200.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2453.377904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.377904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.377904 (E_RNA) where: Base-Base interactions energy: -1666.617 where: short stacking energy: -760.876 Base-Backbone interact. energy: -3.026 local terms energy: -783.735839 where: bonds (distance) C4'-P energy: -150.954 bonds (distance) P-C4' energy: -141.176 flat angles C4'-P-C4' energy: -162.681 flat angles P-C4'-P energy: -113.854 tors. eta vs tors. theta energy: -215.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2292.062645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.062645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.062645 (E_RNA) where: Base-Base interactions energy: -1560.933 where: short stacking energy: -662.509 Base-Backbone interact. energy: 3.089 local terms energy: -734.217777 where: bonds (distance) C4'-P energy: -129.587 bonds (distance) P-C4' energy: -148.610 flat angles C4'-P-C4' energy: -172.720 flat angles P-C4'-P energy: -104.025 tors. eta vs tors. theta energy: -179.275 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: 5, replica: 2 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2117.277325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.277325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.277325 (E_RNA) where: Base-Base interactions energy: -1434.421 where: short stacking energy: -604.068 Base-Backbone interact. energy: -1.173 local terms energy: -681.683088 where: bonds (distance) C4'-P energy: -146.350 bonds (distance) P-C4' energy: -145.993 flat angles C4'-P-C4' energy: -150.705 flat angles P-C4'-P energy: -90.248 tors. eta vs tors. theta energy: -148.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1922.298717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.298717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.298717 (E_RNA) where: Base-Base interactions energy: -1277.636 where: short stacking energy: -554.728 Base-Backbone interact. energy: 1.726 local terms energy: -646.389051 where: bonds (distance) C4'-P energy: -131.012 bonds (distance) P-C4' energy: -143.454 flat angles C4'-P-C4' energy: -144.084 flat angles P-C4'-P energy: -102.409 tors. eta vs tors. theta energy: -125.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1667.028473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.028473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.028473 (E_RNA) where: Base-Base interactions energy: -1068.676 where: short stacking energy: -460.162 Base-Backbone interact. energy: -2.129 local terms energy: -596.223923 where: bonds (distance) C4'-P energy: -114.962 bonds (distance) P-C4' energy: -142.129 flat angles C4'-P-C4' energy: -142.591 flat angles P-C4'-P energy: -83.423 tors. eta vs tors. theta energy: -113.119 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: 8, replica: 8 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1264.293880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.293880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.293880 (E_RNA) where: Base-Base interactions energy: -737.299 where: short stacking energy: -365.258 Base-Backbone interact. energy: 0.562 local terms energy: -527.557180 where: bonds (distance) C4'-P energy: -128.373 bonds (distance) P-C4' energy: -134.167 flat angles C4'-P-C4' energy: -140.101 flat angles P-C4'-P energy: -98.047 tors. eta vs tors. theta energy: -26.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -752.711855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.711855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.711855 (E_RNA) where: Base-Base interactions energy: -327.695 where: short stacking energy: -213.416 Base-Backbone interact. energy: -1.064 local terms energy: -423.953148 where: bonds (distance) C4'-P energy: -120.841 bonds (distance) P-C4' energy: -130.740 flat angles C4'-P-C4' energy: -103.532 flat angles P-C4'-P energy: -76.528 tors. eta vs tors. theta energy: 7.688 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: 7 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -671.388340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.388340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.388340 (E_RNA) where: Base-Base interactions energy: -266.814 where: short stacking energy: -194.838 Base-Backbone interact. energy: 4.404 local terms energy: -408.979127 where: bonds (distance) C4'-P energy: -127.892 bonds (distance) P-C4' energy: -147.218 flat angles C4'-P-C4' energy: -97.979 flat angles P-C4'-P energy: -64.884 tors. eta vs tors. theta energy: 28.993 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: 230 Temperature: 0.900000 Total energy: -2724.294351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.294351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.294351 (E_RNA) where: Base-Base interactions energy: -1868.660 where: short stacking energy: -785.039 Base-Backbone interact. energy: -3.434 local terms energy: -852.200576 where: bonds (distance) C4'-P energy: -154.711 bonds (distance) P-C4' energy: -170.624 flat angles C4'-P-C4' energy: -191.803 flat angles P-C4'-P energy: -118.503 tors. eta vs tors. theta energy: -216.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2525.133435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.133435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.133435 (E_RNA) where: Base-Base interactions energy: -1676.243 where: short stacking energy: -760.860 Base-Backbone interact. energy: -5.969 local terms energy: -842.921807 where: bonds (distance) C4'-P energy: -157.902 bonds (distance) P-C4' energy: -154.134 flat angles C4'-P-C4' energy: -185.905 flat angles P-C4'-P energy: -118.584 tors. eta vs tors. theta energy: -226.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2486.273612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.273612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.273612 (E_RNA) where: Base-Base interactions energy: -1660.577 where: short stacking energy: -738.831 Base-Backbone interact. energy: -1.146 local terms energy: -824.550425 where: bonds (distance) C4'-P energy: -147.251 bonds (distance) P-C4' energy: -161.152 flat angles C4'-P-C4' energy: -182.309 flat angles P-C4'-P energy: -123.685 tors. eta vs tors. theta energy: -210.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2293.608908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.608908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.608908 (E_RNA) where: Base-Base interactions energy: -1553.866 where: short stacking energy: -657.409 Base-Backbone interact. energy: 2.541 local terms energy: -742.283360 where: bonds (distance) C4'-P energy: -142.694 bonds (distance) P-C4' energy: -164.419 flat angles C4'-P-C4' energy: -161.831 flat angles P-C4'-P energy: -102.407 tors. eta vs tors. theta energy: -170.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2152.985109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.985109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.985109 (E_RNA) where: Base-Base interactions energy: -1431.545 where: short stacking energy: -595.277 Base-Backbone interact. energy: 2.527 local terms energy: -723.967778 where: bonds (distance) C4'-P energy: -138.084 bonds (distance) P-C4' energy: -171.711 flat angles C4'-P-C4' energy: -159.625 flat angles P-C4'-P energy: -100.722 tors. eta vs tors. theta energy: -153.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1931.946636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.946636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.946636 (E_RNA) where: Base-Base interactions energy: -1241.184 where: short stacking energy: -535.454 Base-Backbone interact. energy: -2.685 local terms energy: -688.078027 where: bonds (distance) C4'-P energy: -143.205 bonds (distance) P-C4' energy: -142.090 flat angles C4'-P-C4' energy: -156.567 flat angles P-C4'-P energy: -108.221 tors. eta vs tors. theta energy: -137.996 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: 4 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1692.285586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.285586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.285586 (E_RNA) where: Base-Base interactions energy: -1116.738 where: short stacking energy: -503.105 Base-Backbone interact. energy: 3.293 local terms energy: -578.841118 where: bonds (distance) C4'-P energy: -119.166 bonds (distance) P-C4' energy: -121.122 flat angles C4'-P-C4' energy: -139.644 flat angles P-C4'-P energy: -91.214 tors. eta vs tors. theta energy: -107.695 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: 8 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1228.724943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.724943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.724943 (E_RNA) where: Base-Base interactions energy: -720.425 where: short stacking energy: -307.949 Base-Backbone interact. energy: -2.487 local terms energy: -505.813228 where: bonds (distance) C4'-P energy: -128.459 bonds (distance) P-C4' energy: -155.740 flat angles C4'-P-C4' energy: -127.984 flat angles P-C4'-P energy: -75.772 tors. eta vs tors. theta energy: -17.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -738.515291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.515291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.515291 (E_RNA) where: Base-Base interactions energy: -317.073 where: short stacking energy: -216.108 Base-Backbone interact. energy: -0.741 local terms energy: -420.700760 where: bonds (distance) C4'-P energy: -131.003 bonds (distance) P-C4' energy: -137.079 flat angles C4'-P-C4' energy: -117.742 flat angles P-C4'-P energy: -68.814 tors. eta vs tors. theta energy: 33.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -678.466069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.466069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.466069 (E_RNA) where: Base-Base interactions energy: -260.432 where: short stacking energy: -151.454 Base-Backbone interact. energy: 0.038 local terms energy: -418.071601 where: bonds (distance) C4'-P energy: -141.498 bonds (distance) P-C4' energy: -148.438 flat angles C4'-P-C4' energy: -118.202 flat angles P-C4'-P energy: -54.652 tors. eta vs tors. theta energy: 44.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2710.342193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.342193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.342193 (E_RNA) where: Base-Base interactions energy: -1877.970 where: short stacking energy: -786.099 Base-Backbone interact. energy: -4.740 local terms energy: -827.632051 where: bonds (distance) C4'-P energy: -152.127 bonds (distance) P-C4' energy: -153.967 flat angles C4'-P-C4' energy: -186.716 flat angles P-C4'-P energy: -120.061 tors. eta vs tors. theta energy: -214.761 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: 1 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2504.384109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.384109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.384109 (E_RNA) where: Base-Base interactions energy: -1690.110 where: short stacking energy: -753.125 Base-Backbone interact. energy: -2.033 local terms energy: -812.241324 where: bonds (distance) C4'-P energy: -158.374 bonds (distance) P-C4' energy: -147.155 flat angles C4'-P-C4' energy: -178.032 flat angles P-C4'-P energy: -115.063 tors. eta vs tors. theta energy: -213.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2486.005667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.005667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.005667 (E_RNA) where: Base-Base interactions energy: -1649.513 where: short stacking energy: -727.546 Base-Backbone interact. energy: -2.868 local terms energy: -833.624915 where: bonds (distance) C4'-P energy: -147.436 bonds (distance) P-C4' energy: -164.700 flat angles C4'-P-C4' energy: -181.376 flat angles P-C4'-P energy: -121.176 tors. eta vs tors. theta energy: -218.937 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: 4, replica: 2 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2242.897987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.897987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.897987 (E_RNA) where: Base-Base interactions energy: -1559.735 where: short stacking energy: -671.452 Base-Backbone interact. energy: 1.069 local terms energy: -684.232013 where: bonds (distance) C4'-P energy: -131.459 bonds (distance) P-C4' energy: -145.869 flat angles C4'-P-C4' energy: -142.623 flat angles P-C4'-P energy: -105.863 tors. eta vs tors. theta energy: -158.417 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: 9 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2196.561397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.561397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.561397 (E_RNA) where: Base-Base interactions energy: -1477.267 where: short stacking energy: -634.881 Base-Backbone interact. energy: 2.433 local terms energy: -721.727371 where: bonds (distance) C4'-P energy: -152.049 bonds (distance) P-C4' energy: -147.142 flat angles C4'-P-C4' energy: -162.276 flat angles P-C4'-P energy: -97.459 tors. eta vs tors. theta energy: -162.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1966.002789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.002789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.002789 (E_RNA) where: Base-Base interactions energy: -1288.429 where: short stacking energy: -579.499 Base-Backbone interact. energy: -3.161 local terms energy: -674.412521 where: bonds (distance) C4'-P energy: -123.300 bonds (distance) P-C4' energy: -147.224 flat angles C4'-P-C4' energy: -156.472 flat angles P-C4'-P energy: -98.177 tors. eta vs tors. theta energy: -149.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1650.368783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.368783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.368783 (E_RNA) where: Base-Base interactions energy: -1069.877 where: short stacking energy: -463.950 Base-Backbone interact. energy: 11.780 local terms energy: -592.271845 where: bonds (distance) C4'-P energy: -128.029 bonds (distance) P-C4' energy: -131.438 flat angles C4'-P-C4' energy: -154.391 flat angles P-C4'-P energy: -89.063 tors. eta vs tors. theta energy: -89.351 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: 8 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1205.507543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.507543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.507543 (E_RNA) where: Base-Base interactions energy: -667.472 where: short stacking energy: -339.083 Base-Backbone interact. energy: 4.168 local terms energy: -542.203364 where: bonds (distance) C4'-P energy: -139.885 bonds (distance) P-C4' energy: -140.073 flat angles C4'-P-C4' energy: -132.481 flat angles P-C4'-P energy: -93.057 tors. eta vs tors. theta energy: -36.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -791.884530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.884530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.884530 (E_RNA) where: Base-Base interactions energy: -375.380 where: short stacking energy: -249.748 Base-Backbone interact. energy: 2.087 local terms energy: -418.591407 where: bonds (distance) C4'-P energy: -119.608 bonds (distance) P-C4' energy: -119.999 flat angles C4'-P-C4' energy: -121.369 flat angles P-C4'-P energy: -58.366 tors. eta vs tors. theta energy: 0.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -657.584875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.584875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.584875 (E_RNA) where: Base-Base interactions energy: -245.168 where: short stacking energy: -190.558 Base-Backbone interact. energy: 1.716 local terms energy: -414.133025 where: bonds (distance) C4'-P energy: -104.780 bonds (distance) P-C4' energy: -148.034 flat angles C4'-P-C4' energy: -110.840 flat angles P-C4'-P energy: -64.038 tors. eta vs tors. theta energy: 13.559 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: 3 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2704.127803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.127803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.127803 (E_RNA) where: Base-Base interactions energy: -1849.556 where: short stacking energy: -768.876 Base-Backbone interact. energy: -1.963 local terms energy: -852.609229 where: bonds (distance) C4'-P energy: -166.761 bonds (distance) P-C4' energy: -154.625 flat angles C4'-P-C4' energy: -192.317 flat angles P-C4'-P energy: -127.865 tors. eta vs tors. theta energy: -211.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2540.511310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.511310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.511310 (E_RNA) where: Base-Base interactions energy: -1713.292 where: short stacking energy: -793.871 Base-Backbone interact. energy: -1.878 local terms energy: -825.341238 where: bonds (distance) C4'-P energy: -145.092 bonds (distance) P-C4' energy: -158.154 flat angles C4'-P-C4' energy: -175.027 flat angles P-C4'-P energy: -113.302 tors. eta vs tors. theta energy: -233.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2432.948379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.948379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.948379 (E_RNA) where: Base-Base interactions energy: -1625.588 where: short stacking energy: -748.081 Base-Backbone interact. energy: -3.270 local terms energy: -804.090842 where: bonds (distance) C4'-P energy: -144.971 bonds (distance) P-C4' energy: -160.401 flat angles C4'-P-C4' energy: -181.542 flat angles P-C4'-P energy: -109.362 tors. eta vs tors. theta energy: -207.815 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: 4, replica: 2 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2230.679153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.679153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.679153 (E_RNA) where: Base-Base interactions energy: -1506.768 where: short stacking energy: -676.603 Base-Backbone interact. energy: -0.685 local terms energy: -723.226226 where: bonds (distance) C4'-P energy: -137.771 bonds (distance) P-C4' energy: -148.611 flat angles C4'-P-C4' energy: -161.047 flat angles P-C4'-P energy: -109.886 tors. eta vs tors. theta energy: -165.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2190.141148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.141148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.141148 (E_RNA) where: Base-Base interactions energy: -1495.426 where: short stacking energy: -650.431 Base-Backbone interact. energy: 2.601 local terms energy: -697.316782 where: bonds (distance) C4'-P energy: -129.169 bonds (distance) P-C4' energy: -142.257 flat angles C4'-P-C4' energy: -168.749 flat angles P-C4'-P energy: -90.424 tors. eta vs tors. theta energy: -166.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -2014.771545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.771545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.771545 (E_RNA) where: Base-Base interactions energy: -1335.240 where: short stacking energy: -627.825 Base-Backbone interact. energy: 1.495 local terms energy: -681.026282 where: bonds (distance) C4'-P energy: -148.009 bonds (distance) P-C4' energy: -148.786 flat angles C4'-P-C4' energy: -147.095 flat angles P-C4'-P energy: -73.941 tors. eta vs tors. theta energy: -163.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1584.099742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.099742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.099742 (E_RNA) where: Base-Base interactions energy: -993.412 where: short stacking energy: -444.445 Base-Backbone interact. energy: -0.467 local terms energy: -590.220169 where: bonds (distance) C4'-P energy: -129.907 bonds (distance) P-C4' energy: -146.583 flat angles C4'-P-C4' energy: -136.803 flat angles P-C4'-P energy: -87.913 tors. eta vs tors. theta energy: -89.014 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: 8 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1199.782091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.782091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.782091 (E_RNA) where: Base-Base interactions energy: -675.723 where: short stacking energy: -324.664 Base-Backbone interact. energy: -0.918 local terms energy: -523.140294 where: bonds (distance) C4'-P energy: -137.825 bonds (distance) P-C4' energy: -146.235 flat angles C4'-P-C4' energy: -117.006 flat angles P-C4'-P energy: -70.406 tors. eta vs tors. theta energy: -51.668 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: 10 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -778.721960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.721960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.721960 (E_RNA) where: Base-Base interactions energy: -299.961 where: short stacking energy: -218.711 Base-Backbone interact. energy: 3.030 local terms energy: -481.790818 where: bonds (distance) C4'-P energy: -161.566 bonds (distance) P-C4' energy: -148.711 flat angles C4'-P-C4' energy: -129.405 flat angles P-C4'-P energy: -52.137 tors. eta vs tors. theta energy: 10.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -651.756764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.756764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.756764 (E_RNA) where: Base-Base interactions energy: -238.598 where: short stacking energy: -174.795 Base-Backbone interact. energy: 1.656 local terms energy: -414.815288 where: bonds (distance) C4'-P energy: -123.275 bonds (distance) P-C4' energy: -145.137 flat angles C4'-P-C4' energy: -103.788 flat angles P-C4'-P energy: -70.591 tors. eta vs tors. theta energy: 27.976 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: 3 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2722.076887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.076887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.076887 (E_RNA) where: Base-Base interactions energy: -1873.518 where: short stacking energy: -793.665 Base-Backbone interact. energy: -0.724 local terms energy: -847.835597 where: bonds (distance) C4'-P energy: -167.140 bonds (distance) P-C4' energy: -161.596 flat angles C4'-P-C4' energy: -173.069 flat angles P-C4'-P energy: -126.671 tors. eta vs tors. theta energy: -219.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2514.595321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.595321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.595321 (E_RNA) where: Base-Base interactions energy: -1690.302 where: short stacking energy: -744.957 Base-Backbone interact. energy: -0.330 local terms energy: -823.963209 where: bonds (distance) C4'-P energy: -144.696 bonds (distance) P-C4' energy: -161.231 flat angles C4'-P-C4' energy: -178.510 flat angles P-C4'-P energy: -125.299 tors. eta vs tors. theta energy: -214.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2525.610575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.610575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.610575 (E_RNA) where: Base-Base interactions energy: -1680.093 where: short stacking energy: -753.469 Base-Backbone interact. energy: 0.384 local terms energy: -845.901239 where: bonds (distance) C4'-P energy: -155.434 bonds (distance) P-C4' energy: -159.334 flat angles C4'-P-C4' energy: -185.410 flat angles P-C4'-P energy: -126.661 tors. eta vs tors. theta energy: -219.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2230.838392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.838392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.838392 (E_RNA) where: Base-Base interactions energy: -1478.394 where: short stacking energy: -662.455 Base-Backbone interact. energy: -0.397 local terms energy: -752.047085 where: bonds (distance) C4'-P energy: -144.547 bonds (distance) P-C4' energy: -154.304 flat angles C4'-P-C4' energy: -174.273 flat angles P-C4'-P energy: -117.166 tors. eta vs tors. theta energy: -161.757 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: 5, replica: 2 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2155.705832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.705832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.705832 (E_RNA) where: Base-Base interactions energy: -1459.275 where: short stacking energy: -605.704 Base-Backbone interact. energy: 0.732 local terms energy: -697.162196 where: bonds (distance) C4'-P energy: -141.579 bonds (distance) P-C4' energy: -140.912 flat angles C4'-P-C4' energy: -159.045 flat angles P-C4'-P energy: -110.749 tors. eta vs tors. theta energy: -144.878 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: 5 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1903.566440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.566440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.566440 (E_RNA) where: Base-Base interactions energy: -1220.057 where: short stacking energy: -558.334 Base-Backbone interact. energy: -3.573 local terms energy: -679.937204 where: bonds (distance) C4'-P energy: -142.993 bonds (distance) P-C4' energy: -139.459 flat angles C4'-P-C4' energy: -157.632 flat angles P-C4'-P energy: -104.195 tors. eta vs tors. theta energy: -135.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1619.242319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.242319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.242319 (E_RNA) where: Base-Base interactions energy: -999.789 where: short stacking energy: -480.866 Base-Backbone interact. energy: 0.767 local terms energy: -620.219822 where: bonds (distance) C4'-P energy: -143.190 bonds (distance) P-C4' energy: -153.613 flat angles C4'-P-C4' energy: -142.311 flat angles P-C4'-P energy: -85.317 tors. eta vs tors. theta energy: -95.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1234.866941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.866941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.866941 (E_RNA) where: Base-Base interactions energy: -717.209 where: short stacking energy: -361.160 Base-Backbone interact. energy: -1.600 local terms energy: -516.057101 where: bonds (distance) C4'-P energy: -125.457 bonds (distance) P-C4' energy: -143.239 flat angles C4'-P-C4' energy: -138.723 flat angles P-C4'-P energy: -68.139 tors. eta vs tors. theta energy: -40.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -756.104543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.104543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.104543 (E_RNA) where: Base-Base interactions energy: -342.943 where: short stacking energy: -227.620 Base-Backbone interact. energy: -0.634 local terms energy: -412.527312 where: bonds (distance) C4'-P energy: -134.417 bonds (distance) P-C4' energy: -113.066 flat angles C4'-P-C4' energy: -110.916 flat angles P-C4'-P energy: -72.612 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: 7 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -716.783052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.783052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.783052 (E_RNA) where: Base-Base interactions energy: -300.700 where: short stacking energy: -219.453 Base-Backbone interact. energy: -1.525 local terms energy: -414.558329 where: bonds (distance) C4'-P energy: -123.751 bonds (distance) P-C4' energy: -137.203 flat angles C4'-P-C4' energy: -108.196 flat angles P-C4'-P energy: -42.338 tors. eta vs tors. theta energy: -3.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2738.471832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.471832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.471832 (E_RNA) where: Base-Base interactions energy: -1875.894 where: short stacking energy: -776.062 Base-Backbone interact. energy: -3.790 local terms energy: -858.787639 where: bonds (distance) C4'-P energy: -164.375 bonds (distance) P-C4' energy: -169.313 flat angles C4'-P-C4' energy: -174.329 flat angles P-C4'-P energy: -129.494 tors. eta vs tors. theta energy: -221.277 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: 6 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2538.217347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.217347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.217347 (E_RNA) where: Base-Base interactions energy: -1711.295 where: short stacking energy: -786.057 Base-Backbone interact. energy: -4.947 local terms energy: -821.975421 where: bonds (distance) C4'-P energy: -152.709 bonds (distance) P-C4' energy: -141.110 flat angles C4'-P-C4' energy: -184.330 flat angles P-C4'-P energy: -123.721 tors. eta vs tors. theta energy: -220.106 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: 3, replica: 1 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2484.365677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.365677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.365677 (E_RNA) where: Base-Base interactions energy: -1684.823 where: short stacking energy: -742.078 Base-Backbone interact. energy: -1.294 local terms energy: -798.247921 where: bonds (distance) C4'-P energy: -156.390 bonds (distance) P-C4' energy: -150.831 flat angles C4'-P-C4' energy: -167.619 flat angles P-C4'-P energy: -106.457 tors. eta vs tors. theta energy: -216.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2321.360498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.360498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.360498 (E_RNA) where: Base-Base interactions energy: -1555.047 where: short stacking energy: -682.388 Base-Backbone interact. energy: 7.106 local terms energy: -773.419520 where: bonds (distance) C4'-P energy: -156.158 bonds (distance) P-C4' energy: -161.177 flat angles C4'-P-C4' energy: -167.263 flat angles P-C4'-P energy: -107.198 tors. eta vs tors. theta energy: -181.623 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: 234 Temperature: 1.100000 Total energy: -2140.214778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.214778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.214778 (E_RNA) where: Base-Base interactions energy: -1438.612 where: short stacking energy: -630.490 Base-Backbone interact. energy: -3.270 local terms energy: -698.333177 where: bonds (distance) C4'-P energy: -139.465 bonds (distance) P-C4' energy: -152.185 flat angles C4'-P-C4' energy: -153.427 flat angles P-C4'-P energy: -98.063 tors. eta vs tors. theta energy: -155.194 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: 6, replica: 5 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1894.717716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.717716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.717716 (E_RNA) where: Base-Base interactions energy: -1212.128 where: short stacking energy: -567.451 Base-Backbone interact. energy: -4.342 local terms energy: -678.247821 where: bonds (distance) C4'-P energy: -140.781 bonds (distance) P-C4' energy: -142.407 flat angles C4'-P-C4' energy: -154.016 flat angles P-C4'-P energy: -109.102 tors. eta vs tors. theta energy: -131.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1677.695604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.695604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.695604 (E_RNA) where: Base-Base interactions energy: -1079.755 where: short stacking energy: -490.069 Base-Backbone interact. energy: -2.174 local terms energy: -595.766590 where: bonds (distance) C4'-P energy: -132.932 bonds (distance) P-C4' energy: -135.806 flat angles C4'-P-C4' energy: -158.021 flat angles P-C4'-P energy: -80.189 tors. eta vs tors. theta energy: -88.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1276.357784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.357784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.357784 (E_RNA) where: Base-Base interactions energy: -736.696 where: short stacking energy: -353.889 Base-Backbone interact. energy: -0.581 local terms energy: -539.080589 where: bonds (distance) C4'-P energy: -125.215 bonds (distance) P-C4' energy: -135.559 flat angles C4'-P-C4' energy: -136.002 flat angles P-C4'-P energy: -89.433 tors. eta vs tors. theta energy: -52.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -817.972427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.972427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.972427 (E_RNA) where: Base-Base interactions energy: -339.229 where: short stacking energy: -236.614 Base-Backbone interact. energy: -0.837 local terms energy: -477.906094 where: bonds (distance) C4'-P energy: -138.026 bonds (distance) P-C4' energy: -143.164 flat angles C4'-P-C4' energy: -121.848 flat angles P-C4'-P energy: -74.192 tors. eta vs tors. theta energy: -0.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -651.788836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.788836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.788836 (E_RNA) where: Base-Base interactions energy: -267.805 where: short stacking energy: -187.967 Base-Backbone interact. energy: -0.604 local terms energy: -383.379631 where: bonds (distance) C4'-P energy: -119.948 bonds (distance) P-C4' energy: -142.757 flat angles C4'-P-C4' energy: -93.923 flat angles P-C4'-P energy: -63.195 tors. eta vs tors. theta energy: 36.443 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: 3 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2708.671030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.671030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.671030 (E_RNA) where: Base-Base interactions energy: -1843.368 where: short stacking energy: -772.797 Base-Backbone interact. energy: 0.347 local terms energy: -865.650472 where: bonds (distance) C4'-P energy: -170.210 bonds (distance) P-C4' energy: -166.906 flat angles C4'-P-C4' energy: -185.764 flat angles P-C4'-P energy: -119.682 tors. eta vs tors. theta energy: -223.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2606.182540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.182540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.182540 (E_RNA) where: Base-Base interactions energy: -1754.007 where: short stacking energy: -793.886 Base-Backbone interact. energy: 0.337 local terms energy: -852.513288 where: bonds (distance) C4'-P energy: -173.598 bonds (distance) P-C4' energy: -147.399 flat angles C4'-P-C4' energy: -175.500 flat angles P-C4'-P energy: -124.331 tors. eta vs tors. theta energy: -231.685 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: 6 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2430.743172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.743172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.743172 (E_RNA) where: Base-Base interactions energy: -1619.950 where: short stacking energy: -699.945 Base-Backbone interact. energy: 0.109 local terms energy: -810.902295 where: bonds (distance) C4'-P energy: -166.962 bonds (distance) P-C4' energy: -158.294 flat angles C4'-P-C4' energy: -173.469 flat angles P-C4'-P energy: -105.190 tors. eta vs tors. theta energy: -206.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2315.454428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.454428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.454428 (E_RNA) where: Base-Base interactions energy: -1556.025 where: short stacking energy: -669.549 Base-Backbone interact. energy: -2.283 local terms energy: -757.145899 where: bonds (distance) C4'-P energy: -164.050 bonds (distance) P-C4' energy: -142.266 flat angles C4'-P-C4' energy: -163.991 flat angles P-C4'-P energy: -102.800 tors. eta vs tors. theta energy: -184.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2158.057365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.057365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.057365 (E_RNA) where: Base-Base interactions energy: -1458.415 where: short stacking energy: -603.890 Base-Backbone interact. energy: 1.790 local terms energy: -701.432197 where: bonds (distance) C4'-P energy: -143.501 bonds (distance) P-C4' energy: -155.676 flat angles C4'-P-C4' energy: -155.890 flat angles P-C4'-P energy: -102.543 tors. eta vs tors. theta energy: -143.822 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: 6, replica: 5 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1810.472985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.472985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.472985 (E_RNA) where: Base-Base interactions energy: -1132.478 where: short stacking energy: -508.804 Base-Backbone interact. energy: 0.527 local terms energy: -678.522151 where: bonds (distance) C4'-P energy: -143.164 bonds (distance) P-C4' energy: -148.180 flat angles C4'-P-C4' energy: -162.758 flat angles P-C4'-P energy: -99.652 tors. eta vs tors. theta energy: -124.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1619.893334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.893334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.893334 (E_RNA) where: Base-Base interactions energy: -991.594 where: short stacking energy: -450.695 Base-Backbone interact. energy: -3.407 local terms energy: -624.892094 where: bonds (distance) C4'-P energy: -128.974 bonds (distance) P-C4' energy: -153.816 flat angles C4'-P-C4' energy: -154.817 flat angles P-C4'-P energy: -83.502 tors. eta vs tors. theta energy: -103.783 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: 8 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1232.625211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.625211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.625211 (E_RNA) where: Base-Base interactions energy: -737.311 where: short stacking energy: -340.961 Base-Backbone interact. energy: 1.966 local terms energy: -497.279783 where: bonds (distance) C4'-P energy: -115.481 bonds (distance) P-C4' energy: -145.609 flat angles C4'-P-C4' energy: -122.765 flat angles P-C4'-P energy: -89.944 tors. eta vs tors. theta energy: -23.482 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: 9, replica: 7 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -847.722413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.722413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.722413 (E_RNA) where: Base-Base interactions energy: -378.110 where: short stacking energy: -235.247 Base-Backbone interact. energy: 0.224 local terms energy: -469.836918 where: bonds (distance) C4'-P energy: -130.079 bonds (distance) P-C4' energy: -148.273 flat angles C4'-P-C4' energy: -109.884 flat angles P-C4'-P energy: -79.364 tors. eta vs tors. theta energy: -2.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -696.807946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.807946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.807946 (E_RNA) where: Base-Base interactions energy: -285.428 where: short stacking energy: -191.521 Base-Backbone interact. energy: 6.891 local terms energy: -418.270781 where: bonds (distance) C4'-P energy: -150.026 bonds (distance) P-C4' energy: -103.185 flat angles C4'-P-C4' energy: -124.036 flat angles P-C4'-P energy: -65.864 tors. eta vs tors. theta energy: 24.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2690.518621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.518621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.518621 (E_RNA) where: Base-Base interactions energy: -1843.926 where: short stacking energy: -773.215 Base-Backbone interact. energy: -0.028 local terms energy: -846.564589 where: bonds (distance) C4'-P energy: -152.779 bonds (distance) P-C4' energy: -176.285 flat angles C4'-P-C4' energy: -181.102 flat angles P-C4'-P energy: -119.362 tors. eta vs tors. theta energy: -217.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2567.489622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.489622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.489622 (E_RNA) where: Base-Base interactions energy: -1722.769 where: short stacking energy: -785.577 Base-Backbone interact. energy: -3.399 local terms energy: -841.322158 where: bonds (distance) C4'-P energy: -155.557 bonds (distance) P-C4' energy: -154.427 flat angles C4'-P-C4' energy: -182.751 flat angles P-C4'-P energy: -122.242 tors. eta vs tors. theta energy: -226.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2463.489350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.489350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.489350 (E_RNA) where: Base-Base interactions energy: -1636.649 where: short stacking energy: -750.981 Base-Backbone interact. energy: -1.909 local terms energy: -824.931152 where: bonds (distance) C4'-P energy: -146.468 bonds (distance) P-C4' energy: -147.563 flat angles C4'-P-C4' energy: -180.232 flat angles P-C4'-P energy: -124.545 tors. eta vs tors. theta energy: -226.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2300.924769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.924769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.924769 (E_RNA) where: Base-Base interactions energy: -1561.191 where: short stacking energy: -653.506 Base-Backbone interact. energy: -4.011 local terms energy: -735.722608 where: bonds (distance) C4'-P energy: -144.512 bonds (distance) P-C4' energy: -149.335 flat angles C4'-P-C4' energy: -160.473 flat angles P-C4'-P energy: -104.846 tors. eta vs tors. theta energy: -176.557 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: 2 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2151.287199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.287199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.287199 (E_RNA) where: Base-Base interactions energy: -1438.943 where: short stacking energy: -629.857 Base-Backbone interact. energy: -1.151 local terms energy: -711.193162 where: bonds (distance) C4'-P energy: -143.357 bonds (distance) P-C4' energy: -141.006 flat angles C4'-P-C4' energy: -160.620 flat angles P-C4'-P energy: -114.259 tors. eta vs tors. theta energy: -151.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1776.356952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.356952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.356952 (E_RNA) where: Base-Base interactions energy: -1147.307 where: short stacking energy: -525.009 Base-Backbone interact. energy: 2.583 local terms energy: -631.632875 where: bonds (distance) C4'-P energy: -125.396 bonds (distance) P-C4' energy: -134.890 flat angles C4'-P-C4' energy: -159.820 flat angles P-C4'-P energy: -89.653 tors. eta vs tors. theta energy: -121.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1639.288090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.288090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.288090 (E_RNA) where: Base-Base interactions energy: -1020.950 where: short stacking energy: -493.561 Base-Backbone interact. energy: -4.825 local terms energy: -613.512812 where: bonds (distance) C4'-P energy: -144.829 bonds (distance) P-C4' energy: -145.720 flat angles C4'-P-C4' energy: -138.306 flat angles P-C4'-P energy: -89.939 tors. eta vs tors. theta energy: -94.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1222.449460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.449460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.449460 (E_RNA) where: Base-Base interactions energy: -705.387 where: short stacking energy: -334.490 Base-Backbone interact. energy: 0.444 local terms energy: -517.505820 where: bonds (distance) C4'-P energy: -133.832 bonds (distance) P-C4' energy: -138.417 flat angles C4'-P-C4' energy: -139.554 flat angles P-C4'-P energy: -79.261 tors. eta vs tors. theta energy: -26.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -863.975033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.975033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.975033 (E_RNA) where: Base-Base interactions energy: -432.742 where: short stacking energy: -276.280 Base-Backbone interact. energy: 1.614 local terms energy: -432.847343 where: bonds (distance) C4'-P energy: -125.835 bonds (distance) P-C4' energy: -132.688 flat angles C4'-P-C4' energy: -103.372 flat angles P-C4'-P energy: -56.345 tors. eta vs tors. theta energy: -14.608 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: 10 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -663.837153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.837153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.837153 (E_RNA) where: Base-Base interactions energy: -266.336 where: short stacking energy: -186.830 Base-Backbone interact. energy: 3.323 local terms energy: -400.824444 where: bonds (distance) C4'-P energy: -123.511 bonds (distance) P-C4' energy: -126.709 flat angles C4'-P-C4' energy: -95.301 flat angles P-C4'-P energy: -85.976 tors. eta vs tors. theta energy: 30.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2715.046595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.046595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.046595 (E_RNA) where: Base-Base interactions energy: -1867.818 where: short stacking energy: -781.614 Base-Backbone interact. energy: -1.009 local terms energy: -846.218671 where: bonds (distance) C4'-P energy: -167.466 bonds (distance) P-C4' energy: -166.652 flat angles C4'-P-C4' energy: -185.239 flat angles P-C4'-P energy: -118.689 tors. eta vs tors. theta energy: -208.173 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: 2, replica: 1 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2562.993345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.993345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.993345 (E_RNA) where: Base-Base interactions energy: -1707.276 where: short stacking energy: -768.058 Base-Backbone interact. energy: -3.286 local terms energy: -852.431055 where: bonds (distance) C4'-P energy: -176.974 bonds (distance) P-C4' energy: -158.528 flat angles C4'-P-C4' energy: -183.975 flat angles P-C4'-P energy: -116.286 tors. eta vs tors. theta energy: -216.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2461.698110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.698110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.698110 (E_RNA) where: Base-Base interactions energy: -1642.327 where: short stacking energy: -756.809 Base-Backbone interact. energy: -3.881 local terms energy: -815.490069 where: bonds (distance) C4'-P energy: -154.083 bonds (distance) P-C4' energy: -162.193 flat angles C4'-P-C4' energy: -171.155 flat angles P-C4'-P energy: -105.212 tors. eta vs tors. theta energy: -222.848 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: 9 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2321.964009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.964009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.964009 (E_RNA) where: Base-Base interactions energy: -1566.401 where: short stacking energy: -676.693 Base-Backbone interact. energy: -0.639 local terms energy: -754.924603 where: bonds (distance) C4'-P energy: -128.213 bonds (distance) P-C4' energy: -162.327 flat angles C4'-P-C4' energy: -171.438 flat angles P-C4'-P energy: -107.728 tors. eta vs tors. theta energy: -185.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2166.400164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.400164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.400164 (E_RNA) where: Base-Base interactions energy: -1448.266 where: short stacking energy: -613.303 Base-Backbone interact. energy: -3.175 local terms energy: -714.958621 where: bonds (distance) C4'-P energy: -130.144 bonds (distance) P-C4' energy: -149.599 flat angles C4'-P-C4' energy: -176.798 flat angles P-C4'-P energy: -116.185 tors. eta vs tors. theta energy: -142.232 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: 237 Temperature: 1.150000 Total energy: -1827.409413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.409413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.409413 (E_RNA) where: Base-Base interactions energy: -1195.706 where: short stacking energy: -546.923 Base-Backbone interact. energy: -4.032 local terms energy: -627.671336 where: bonds (distance) C4'-P energy: -147.052 bonds (distance) P-C4' energy: -137.088 flat angles C4'-P-C4' energy: -152.718 flat angles P-C4'-P energy: -74.434 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: 7, replica: 4 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1641.946838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.946838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.946838 (E_RNA) where: Base-Base interactions energy: -1028.207 where: short stacking energy: -451.804 Base-Backbone interact. energy: -2.566 local terms energy: -611.174026 where: bonds (distance) C4'-P energy: -136.819 bonds (distance) P-C4' energy: -145.955 flat angles C4'-P-C4' energy: -142.634 flat angles P-C4'-P energy: -87.557 tors. eta vs tors. theta energy: -98.209 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: 8 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1228.441582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.441582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.441582 (E_RNA) where: Base-Base interactions energy: -727.545 where: short stacking energy: -363.160 Base-Backbone interact. energy: -2.101 local terms energy: -498.795849 where: bonds (distance) C4'-P energy: -111.060 bonds (distance) P-C4' energy: -152.132 flat angles C4'-P-C4' energy: -122.861 flat angles P-C4'-P energy: -74.095 tors. eta vs tors. theta energy: -38.648 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: 7 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -830.321623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.321623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.321623 (E_RNA) where: Base-Base interactions energy: -356.825 where: short stacking energy: -224.887 Base-Backbone interact. energy: 5.747 local terms energy: -479.243145 where: bonds (distance) C4'-P energy: -131.549 bonds (distance) P-C4' energy: -145.213 flat angles C4'-P-C4' energy: -109.231 flat angles P-C4'-P energy: -89.448 tors. eta vs tors. theta energy: -3.803 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: 10 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -665.853974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.853974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.853974 (E_RNA) where: Base-Base interactions energy: -326.267 where: short stacking energy: -230.175 Base-Backbone interact. energy: 6.450 local terms energy: -346.036837 where: bonds (distance) C4'-P energy: -106.438 bonds (distance) P-C4' energy: -132.439 flat angles C4'-P-C4' energy: -78.634 flat angles P-C4'-P energy: -63.478 tors. eta vs tors. theta energy: 34.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2697.026982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.026982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.026982 (E_RNA) where: Base-Base interactions energy: -1841.309 where: short stacking energy: -788.055 Base-Backbone interact. energy: -3.591 local terms energy: -852.126818 where: bonds (distance) C4'-P energy: -165.686 bonds (distance) P-C4' energy: -162.339 flat angles C4'-P-C4' energy: -173.486 flat angles P-C4'-P energy: -129.272 tors. eta vs tors. theta energy: -221.345 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: 1 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2535.736481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.736481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.736481 (E_RNA) where: Base-Base interactions energy: -1712.616 where: short stacking energy: -719.989 Base-Backbone interact. energy: -2.471 local terms energy: -820.649857 where: bonds (distance) C4'-P energy: -158.648 bonds (distance) P-C4' energy: -160.464 flat angles C4'-P-C4' energy: -169.384 flat angles P-C4'-P energy: -115.311 tors. eta vs tors. theta energy: -216.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2407.331632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.331632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.331632 (E_RNA) where: Base-Base interactions energy: -1608.636 where: short stacking energy: -714.009 Base-Backbone interact. energy: -2.006 local terms energy: -796.689214 where: bonds (distance) C4'-P energy: -135.031 bonds (distance) P-C4' energy: -164.612 flat angles C4'-P-C4' energy: -165.668 flat angles P-C4'-P energy: -123.882 tors. eta vs tors. theta energy: -207.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2309.700593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.700593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.700593 (E_RNA) where: Base-Base interactions energy: -1564.104 where: short stacking energy: -672.404 Base-Backbone interact. energy: -1.227 local terms energy: -744.369355 where: bonds (distance) C4'-P energy: -133.922 bonds (distance) P-C4' energy: -165.299 flat angles C4'-P-C4' energy: -171.153 flat angles P-C4'-P energy: -109.688 tors. eta vs tors. theta energy: -164.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2121.498785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.498785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.498785 (E_RNA) where: Base-Base interactions energy: -1418.974 where: short stacking energy: -602.980 Base-Backbone interact. energy: 3.210 local terms energy: -705.734557 where: bonds (distance) C4'-P energy: -155.672 bonds (distance) P-C4' energy: -127.553 flat angles C4'-P-C4' energy: -170.843 flat angles P-C4'-P energy: -101.437 tors. eta vs tors. theta energy: -150.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1789.543970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.543970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.543970 (E_RNA) where: Base-Base interactions energy: -1179.785 where: short stacking energy: -520.795 Base-Backbone interact. energy: 3.861 local terms energy: -613.619472 where: bonds (distance) C4'-P energy: -144.522 bonds (distance) P-C4' energy: -128.162 flat angles C4'-P-C4' energy: -140.760 flat angles P-C4'-P energy: -90.462 tors. eta vs tors. theta energy: -109.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1596.477383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.477383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.477383 (E_RNA) where: Base-Base interactions energy: -1010.865 where: short stacking energy: -462.005 Base-Backbone interact. energy: 0.504 local terms energy: -586.116288 where: bonds (distance) C4'-P energy: -144.679 bonds (distance) P-C4' energy: -141.961 flat angles C4'-P-C4' energy: -131.215 flat angles P-C4'-P energy: -65.240 tors. eta vs tors. theta energy: -103.021 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: 8 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1306.768681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.768681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.768681 (E_RNA) where: Base-Base interactions energy: -752.722 where: short stacking energy: -358.376 Base-Backbone interact. energy: 2.879 local terms energy: -556.925651 where: bonds (distance) C4'-P energy: -150.404 bonds (distance) P-C4' energy: -137.863 flat angles C4'-P-C4' energy: -120.335 flat angles P-C4'-P energy: -90.084 tors. eta vs tors. theta energy: -58.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -738.827165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.827165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.827165 (E_RNA) where: Base-Base interactions energy: -292.028 where: short stacking energy: -202.512 Base-Backbone interact. energy: -1.504 local terms energy: -445.295065 where: bonds (distance) C4'-P energy: -130.738 bonds (distance) P-C4' energy: -128.170 flat angles C4'-P-C4' energy: -122.955 flat angles P-C4'-P energy: -66.200 tors. eta vs tors. theta energy: 2.767 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: 10, replica: 7 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -857.163757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.163757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.163757 (E_RNA) where: Base-Base interactions energy: -396.645 where: short stacking energy: -234.197 Base-Backbone interact. energy: -1.122 local terms energy: -459.397708 where: bonds (distance) C4'-P energy: -121.539 bonds (distance) P-C4' energy: -154.620 flat angles C4'-P-C4' energy: -107.993 flat angles P-C4'-P energy: -74.164 tors. eta vs tors. theta energy: -1.082 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: 1, replica: 3 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2731.064868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.064868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.064868 (E_RNA) where: Base-Base interactions energy: -1866.486 where: short stacking energy: -793.998 Base-Backbone interact. energy: 2.926 local terms energy: -867.505059 where: bonds (distance) C4'-P energy: -160.386 bonds (distance) P-C4' energy: -176.113 flat angles C4'-P-C4' energy: -183.817 flat angles P-C4'-P energy: -126.882 tors. eta vs tors. theta energy: -220.306 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: 2, replica: 1 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2596.255096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.255096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.255096 (E_RNA) where: Base-Base interactions energy: -1768.143 where: short stacking energy: -785.870 Base-Backbone interact. energy: -3.400 local terms energy: -824.712397 where: bonds (distance) C4'-P energy: -166.324 bonds (distance) P-C4' energy: -152.484 flat angles C4'-P-C4' energy: -163.801 flat angles P-C4'-P energy: -120.369 tors. eta vs tors. theta energy: -221.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2410.189154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.189154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.189154 (E_RNA) where: Base-Base interactions energy: -1628.301 where: short stacking energy: -727.708 Base-Backbone interact. energy: -2.310 local terms energy: -779.578043 where: bonds (distance) C4'-P energy: -123.405 bonds (distance) P-C4' energy: -155.647 flat angles C4'-P-C4' energy: -171.215 flat angles P-C4'-P energy: -113.327 tors. eta vs tors. theta energy: -215.983 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: 9 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2336.537314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.537314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.537314 (E_RNA) where: Base-Base interactions energy: -1560.644 where: short stacking energy: -659.629 Base-Backbone interact. energy: -2.343 local terms energy: -773.549781 where: bonds (distance) C4'-P energy: -146.305 bonds (distance) P-C4' energy: -166.218 flat angles C4'-P-C4' energy: -171.593 flat angles P-C4'-P energy: -104.970 tors. eta vs tors. theta energy: -184.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2172.391777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.391777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.391777 (E_RNA) where: Base-Base interactions energy: -1454.583 where: short stacking energy: -607.276 Base-Backbone interact. energy: -8.363 local terms energy: -709.445870 where: bonds (distance) C4'-P energy: -148.169 bonds (distance) P-C4' energy: -138.873 flat angles C4'-P-C4' energy: -167.960 flat angles P-C4'-P energy: -93.436 tors. eta vs tors. theta energy: -161.007 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: 5 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1748.808124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.808124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.808124 (E_RNA) where: Base-Base interactions energy: -1105.895 where: short stacking energy: -525.295 Base-Backbone interact. energy: 0.929 local terms energy: -643.842981 where: bonds (distance) C4'-P energy: -144.567 bonds (distance) P-C4' energy: -153.579 flat angles C4'-P-C4' energy: -135.345 flat angles P-C4'-P energy: -85.707 tors. eta vs tors. theta energy: -124.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1552.089402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.089402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.089402 (E_RNA) where: Base-Base interactions energy: -952.493 where: short stacking energy: -451.616 Base-Backbone interact. energy: -6.519 local terms energy: -593.077782 where: bonds (distance) C4'-P energy: -146.877 bonds (distance) P-C4' energy: -137.564 flat angles C4'-P-C4' energy: -140.542 flat angles P-C4'-P energy: -86.777 tors. eta vs tors. theta energy: -81.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1217.878519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.878519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.878519 (E_RNA) where: Base-Base interactions energy: -723.849 where: short stacking energy: -371.693 Base-Backbone interact. energy: 0.119 local terms energy: -494.148238 where: bonds (distance) C4'-P energy: -129.926 bonds (distance) P-C4' energy: -116.716 flat angles C4'-P-C4' energy: -130.964 flat angles P-C4'-P energy: -67.888 tors. eta vs tors. theta energy: -48.655 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: 10 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -792.597529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.597529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.597529 (E_RNA) where: Base-Base interactions energy: -349.787 where: short stacking energy: -221.927 Base-Backbone interact. energy: -2.383 local terms energy: -440.426779 where: bonds (distance) C4'-P energy: -107.943 bonds (distance) P-C4' energy: -143.540 flat angles C4'-P-C4' energy: -123.415 flat angles P-C4'-P energy: -76.807 tors. eta vs tors. theta energy: 11.279 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: 7 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -807.708700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.708700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.708700 (E_RNA) where: Base-Base interactions energy: -341.619 where: short stacking energy: -207.053 Base-Backbone interact. energy: 3.166 local terms energy: -469.255366 where: bonds (distance) C4'-P energy: -153.881 bonds (distance) P-C4' energy: -140.466 flat angles C4'-P-C4' energy: -141.563 flat angles P-C4'-P energy: -49.958 tors. eta vs tors. theta energy: 16.612 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: 1, replica: 1 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2637.762153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.762153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.762153 (E_RNA) where: Base-Base interactions energy: -1781.307 where: short stacking energy: -808.751 Base-Backbone interact. energy: -3.387 local terms energy: -853.068144 where: bonds (distance) C4'-P energy: -160.238 bonds (distance) P-C4' energy: -167.106 flat angles C4'-P-C4' energy: -183.845 flat angles P-C4'-P energy: -114.111 tors. eta vs tors. theta energy: -227.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2598.276660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.276660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.276660 (E_RNA) where: Base-Base interactions energy: -1772.992 where: short stacking energy: -752.683 Base-Backbone interact. energy: -3.067 local terms energy: -822.217204 where: bonds (distance) C4'-P energy: -136.380 bonds (distance) P-C4' energy: -153.843 flat angles C4'-P-C4' energy: -185.527 flat angles P-C4'-P energy: -125.853 tors. eta vs tors. theta energy: -220.615 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: 6 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2444.101672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.101672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.101672 (E_RNA) where: Base-Base interactions energy: -1635.133 where: short stacking energy: -705.976 Base-Backbone interact. energy: -3.733 local terms energy: -805.235725 where: bonds (distance) C4'-P energy: -161.989 bonds (distance) P-C4' energy: -157.635 flat angles C4'-P-C4' energy: -169.882 flat angles P-C4'-P energy: -96.814 tors. eta vs tors. theta energy: -218.917 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: 9 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2385.139918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.139918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.139918 (E_RNA) where: Base-Base interactions energy: -1619.296 where: short stacking energy: -698.827 Base-Backbone interact. energy: -1.101 local terms energy: -764.742664 where: bonds (distance) C4'-P energy: -131.811 bonds (distance) P-C4' energy: -154.930 flat angles C4'-P-C4' energy: -167.601 flat angles P-C4'-P energy: -112.303 tors. eta vs tors. theta energy: -198.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2202.630872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.630872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.630872 (E_RNA) where: Base-Base interactions energy: -1495.784 where: short stacking energy: -639.504 Base-Backbone interact. energy: -1.187 local terms energy: -705.659993 where: bonds (distance) C4'-P energy: -149.291 bonds (distance) P-C4' energy: -140.689 flat angles C4'-P-C4' energy: -155.459 flat angles P-C4'-P energy: -106.043 tors. eta vs tors. theta energy: -154.179 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: 5 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1841.969192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.969192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.969192 (E_RNA) where: Base-Base interactions energy: -1187.441 where: short stacking energy: -515.794 Base-Backbone interact. energy: -6.435 local terms energy: -648.092840 where: bonds (distance) C4'-P energy: -139.714 bonds (distance) P-C4' energy: -147.564 flat angles C4'-P-C4' energy: -153.491 flat angles P-C4'-P energy: -93.590 tors. eta vs tors. theta energy: -113.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1622.171499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.171499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.171499 (E_RNA) where: Base-Base interactions energy: -979.524 where: short stacking energy: -452.761 Base-Backbone interact. energy: -1.597 local terms energy: -641.050426 where: bonds (distance) C4'-P energy: -155.630 bonds (distance) P-C4' energy: -149.464 flat angles C4'-P-C4' energy: -145.676 flat angles P-C4'-P energy: -96.824 tors. eta vs tors. theta energy: -93.456 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: 8 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1255.260168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.260168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.260168 (E_RNA) where: Base-Base interactions energy: -733.104 where: short stacking energy: -379.009 Base-Backbone interact. energy: 2.664 local terms energy: -524.820242 where: bonds (distance) C4'-P energy: -140.367 bonds (distance) P-C4' energy: -126.075 flat angles C4'-P-C4' energy: -129.528 flat angles P-C4'-P energy: -83.740 tors. eta vs tors. theta energy: -45.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -869.962230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.962230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.962230 (E_RNA) where: Base-Base interactions energy: -385.869 where: short stacking energy: -248.592 Base-Backbone interact. energy: 1.877 local terms energy: -485.970983 where: bonds (distance) C4'-P energy: -114.014 bonds (distance) P-C4' energy: -158.584 flat angles C4'-P-C4' energy: -119.106 flat angles P-C4'-P energy: -93.171 tors. eta vs tors. theta energy: -1.097 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: 10 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -755.273752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.273752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.273752 (E_RNA) where: Base-Base interactions energy: -307.590 where: short stacking energy: -195.025 Base-Backbone interact. energy: 2.550 local terms energy: -450.233632 where: bonds (distance) C4'-P energy: -134.219 bonds (distance) P-C4' energy: -143.809 flat angles C4'-P-C4' energy: -111.986 flat angles P-C4'-P energy: -73.003 tors. eta vs tors. theta energy: 12.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2616.147437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.147437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.147437 (E_RNA) where: Base-Base interactions energy: -1743.754 where: short stacking energy: -770.440 Base-Backbone interact. energy: 1.028 local terms energy: -873.421387 where: bonds (distance) C4'-P energy: -161.173 bonds (distance) P-C4' energy: -165.937 flat angles C4'-P-C4' energy: -190.915 flat angles P-C4'-P energy: -131.168 tors. eta vs tors. theta energy: -224.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2639.247772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.247772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.247772 (E_RNA) where: Base-Base interactions energy: -1831.390 where: short stacking energy: -768.670 Base-Backbone interact. energy: -1.124 local terms energy: -806.733604 where: bonds (distance) C4'-P energy: -141.489 bonds (distance) P-C4' energy: -157.229 flat angles C4'-P-C4' energy: -178.912 flat angles P-C4'-P energy: -109.560 tors. eta vs tors. theta energy: -219.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2399.026492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.026492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.026492 (E_RNA) where: Base-Base interactions energy: -1596.512 where: short stacking energy: -713.522 Base-Backbone interact. energy: -1.391 local terms energy: -801.123466 where: bonds (distance) C4'-P energy: -157.806 bonds (distance) P-C4' energy: -148.305 flat angles C4'-P-C4' energy: -181.881 flat angles P-C4'-P energy: -111.027 tors. eta vs tors. theta energy: -202.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2383.500214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.500214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.500214 (E_RNA) where: Base-Base interactions energy: -1631.998 where: short stacking energy: -694.780 Base-Backbone interact. energy: -1.933 local terms energy: -749.569799 where: bonds (distance) C4'-P energy: -136.063 bonds (distance) P-C4' energy: -139.114 flat angles C4'-P-C4' energy: -172.101 flat angles P-C4'-P energy: -109.772 tors. eta vs tors. theta energy: -192.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2203.394279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.394279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.394279 (E_RNA) where: Base-Base interactions energy: -1497.161 where: short stacking energy: -630.402 Base-Backbone interact. energy: 0.177 local terms energy: -706.411094 where: bonds (distance) C4'-P energy: -149.426 bonds (distance) P-C4' energy: -156.610 flat angles C4'-P-C4' energy: -144.205 flat angles P-C4'-P energy: -105.117 tors. eta vs tors. theta energy: -151.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1839.802180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.802180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.802180 (E_RNA) where: Base-Base interactions energy: -1196.483 where: short stacking energy: -547.808 Base-Backbone interact. energy: 0.599 local terms energy: -643.917878 where: bonds (distance) C4'-P energy: -124.814 bonds (distance) P-C4' energy: -164.339 flat angles C4'-P-C4' energy: -147.141 flat angles P-C4'-P energy: -85.117 tors. eta vs tors. theta energy: -122.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1627.339396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.339396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.339396 (E_RNA) where: Base-Base interactions energy: -1032.790 where: short stacking energy: -480.687 Base-Backbone interact. energy: 1.004 local terms energy: -595.552981 where: bonds (distance) C4'-P energy: -128.786 bonds (distance) P-C4' energy: -137.108 flat angles C4'-P-C4' energy: -144.562 flat angles P-C4'-P energy: -73.084 tors. eta vs tors. theta energy: -112.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1288.911369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.911369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.911369 (E_RNA) where: Base-Base interactions energy: -752.684 where: short stacking energy: -404.770 Base-Backbone interact. energy: 5.593 local terms energy: -541.820417 where: bonds (distance) C4'-P energy: -142.025 bonds (distance) P-C4' energy: -136.596 flat angles C4'-P-C4' energy: -114.521 flat angles P-C4'-P energy: -78.509 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: 9, replica: 7 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -828.252519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.252519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.252519 (E_RNA) where: Base-Base interactions energy: -402.829 where: short stacking energy: -239.132 Base-Backbone interact. energy: 1.930 local terms energy: -427.353364 where: bonds (distance) C4'-P energy: -121.744 bonds (distance) P-C4' energy: -139.279 flat angles C4'-P-C4' energy: -106.907 flat angles P-C4'-P energy: -58.513 tors. eta vs tors. theta energy: -0.911 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: 10 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -761.303449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.303449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.303449 (E_RNA) where: Base-Base interactions energy: -357.588 where: short stacking energy: -216.767 Base-Backbone interact. energy: 0.969 local terms energy: -404.685029 where: bonds (distance) C4'-P energy: -131.279 bonds (distance) P-C4' energy: -140.870 flat angles C4'-P-C4' energy: -100.316 flat angles P-C4'-P energy: -57.039 tors. eta vs tors. theta energy: 24.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2616.083982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.083982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.083982 (E_RNA) where: Base-Base interactions energy: -1759.040 where: short stacking energy: -795.405 Base-Backbone interact. energy: -3.470 local terms energy: -853.574271 where: bonds (distance) C4'-P energy: -140.155 bonds (distance) P-C4' energy: -167.972 flat angles C4'-P-C4' energy: -184.641 flat angles P-C4'-P energy: -126.256 tors. eta vs tors. theta energy: -234.551 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: 3 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2576.579968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.579968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.579968 (E_RNA) where: Base-Base interactions energy: -1754.258 where: short stacking energy: -733.848 Base-Backbone interact. energy: -0.368 local terms energy: -821.953294 where: bonds (distance) C4'-P energy: -150.075 bonds (distance) P-C4' energy: -157.017 flat angles C4'-P-C4' energy: -177.982 flat angles P-C4'-P energy: -131.872 tors. eta vs tors. theta energy: -205.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2456.491393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.491393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.491393 (E_RNA) where: Base-Base interactions energy: -1674.695 where: short stacking energy: -727.531 Base-Backbone interact. energy: -1.818 local terms energy: -779.977659 where: bonds (distance) C4'-P energy: -155.328 bonds (distance) P-C4' energy: -151.605 flat angles C4'-P-C4' energy: -171.220 flat angles P-C4'-P energy: -116.006 tors. eta vs tors. theta energy: -185.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2322.328496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.328496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.328496 (E_RNA) where: Base-Base interactions energy: -1559.482 where: short stacking energy: -691.333 Base-Backbone interact. energy: -1.903 local terms energy: -760.944064 where: bonds (distance) C4'-P energy: -148.747 bonds (distance) P-C4' energy: -151.605 flat angles C4'-P-C4' energy: -169.819 flat angles P-C4'-P energy: -110.367 tors. eta vs tors. theta energy: -180.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2204.594864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.594864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.594864 (E_RNA) where: Base-Base interactions energy: -1489.260 where: short stacking energy: -648.301 Base-Backbone interact. energy: 0.350 local terms energy: -715.685131 where: bonds (distance) C4'-P energy: -139.420 bonds (distance) P-C4' energy: -149.280 flat angles C4'-P-C4' energy: -157.605 flat angles P-C4'-P energy: -113.815 tors. eta vs tors. theta energy: -155.565 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: 242 Temperature: 1.150000 Total energy: -1872.938474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.938474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.938474 (E_RNA) where: Base-Base interactions energy: -1218.617 where: short stacking energy: -529.028 Base-Backbone interact. energy: -3.899 local terms energy: -650.422741 where: bonds (distance) C4'-P energy: -133.347 bonds (distance) P-C4' energy: -153.051 flat angles C4'-P-C4' energy: -151.877 flat angles P-C4'-P energy: -98.492 tors. eta vs tors. theta energy: -113.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1659.169848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.169848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.169848 (E_RNA) where: Base-Base interactions energy: -1049.767 where: short stacking energy: -481.289 Base-Backbone interact. energy: -1.488 local terms energy: -607.914732 where: bonds (distance) C4'-P energy: -123.505 bonds (distance) P-C4' energy: -141.383 flat angles C4'-P-C4' energy: -137.849 flat angles P-C4'-P energy: -97.221 tors. eta vs tors. theta energy: -107.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1266.163723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.163723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.163723 (E_RNA) where: Base-Base interactions energy: -707.553 where: short stacking energy: -374.222 Base-Backbone interact. energy: 2.651 local terms energy: -561.261961 where: bonds (distance) C4'-P energy: -128.277 bonds (distance) P-C4' energy: -145.396 flat angles C4'-P-C4' energy: -131.552 flat angles P-C4'-P energy: -93.438 tors. eta vs tors. theta energy: -62.598 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: 7 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -887.844064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.844064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.844064 (E_RNA) where: Base-Base interactions energy: -455.550 where: short stacking energy: -291.137 Base-Backbone interact. energy: -1.717 local terms energy: -430.576917 where: bonds (distance) C4'-P energy: -125.925 bonds (distance) P-C4' energy: -139.016 flat angles C4'-P-C4' energy: -105.363 flat angles P-C4'-P energy: -45.543 tors. eta vs tors. theta energy: -14.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -801.682341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.682341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.682341 (E_RNA) where: Base-Base interactions energy: -392.085 where: short stacking energy: -233.709 Base-Backbone interact. energy: -3.326 local terms energy: -406.271287 where: bonds (distance) C4'-P energy: -138.015 bonds (distance) P-C4' energy: -132.301 flat angles C4'-P-C4' energy: -103.572 flat angles P-C4'-P energy: -61.549 tors. eta vs tors. theta energy: 29.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2658.872541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.872541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.872541 (E_RNA) where: Base-Base interactions energy: -1812.993 where: short stacking energy: -814.886 Base-Backbone interact. energy: -4.232 local terms energy: -841.647417 where: bonds (distance) C4'-P energy: -141.332 bonds (distance) P-C4' energy: -155.132 flat angles C4'-P-C4' energy: -186.097 flat angles P-C4'-P energy: -127.533 tors. eta vs tors. theta energy: -231.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2583.935334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.935334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.935334 (E_RNA) where: Base-Base interactions energy: -1745.613 where: short stacking energy: -738.954 Base-Backbone interact. energy: -1.900 local terms energy: -836.421833 where: bonds (distance) C4'-P energy: -152.826 bonds (distance) P-C4' energy: -171.467 flat angles C4'-P-C4' energy: -173.433 flat angles P-C4'-P energy: -118.408 tors. eta vs tors. theta energy: -220.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2452.587521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.587521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.587521 (E_RNA) where: Base-Base interactions energy: -1668.368 where: short stacking energy: -729.197 Base-Backbone interact. energy: -1.616 local terms energy: -782.603116 where: bonds (distance) C4'-P energy: -147.515 bonds (distance) P-C4' energy: -164.130 flat angles C4'-P-C4' energy: -160.854 flat angles P-C4'-P energy: -113.155 tors. eta vs tors. theta energy: -196.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2321.334920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.334920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.334920 (E_RNA) where: Base-Base interactions energy: -1576.391 where: short stacking energy: -686.547 Base-Backbone interact. energy: -3.584 local terms energy: -741.359203 where: bonds (distance) C4'-P energy: -120.871 bonds (distance) P-C4' energy: -152.688 flat angles C4'-P-C4' energy: -177.655 flat angles P-C4'-P energy: -113.336 tors. eta vs tors. theta energy: -176.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2224.380966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.380966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.380966 (E_RNA) where: Base-Base interactions energy: -1510.652 where: short stacking energy: -647.119 Base-Backbone interact. energy: 0.255 local terms energy: -713.984905 where: bonds (distance) C4'-P energy: -153.886 bonds (distance) P-C4' energy: -149.000 flat angles C4'-P-C4' energy: -152.122 flat angles P-C4'-P energy: -107.508 tors. eta vs tors. theta energy: -151.469 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: 5 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1851.632061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.632061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.632061 (E_RNA) where: Base-Base interactions energy: -1202.915 where: short stacking energy: -550.738 Base-Backbone interact. energy: -3.812 local terms energy: -644.905016 where: bonds (distance) C4'-P energy: -139.706 bonds (distance) P-C4' energy: -142.248 flat angles C4'-P-C4' energy: -161.566 flat angles P-C4'-P energy: -93.116 tors. eta vs tors. theta energy: -108.270 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: 4 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1704.854809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.854809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.854809 (E_RNA) where: Base-Base interactions energy: -1074.208 where: short stacking energy: -491.963 Base-Backbone interact. energy: -1.815 local terms energy: -628.832344 where: bonds (distance) C4'-P energy: -105.234 bonds (distance) P-C4' energy: -152.139 flat angles C4'-P-C4' energy: -156.035 flat angles P-C4'-P energy: -94.897 tors. eta vs tors. theta energy: -120.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1192.748895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.748895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.748895 (E_RNA) where: Base-Base interactions energy: -666.890 where: short stacking energy: -355.286 Base-Backbone interact. energy: 0.756 local terms energy: -526.614721 where: bonds (distance) C4'-P energy: -126.969 bonds (distance) P-C4' energy: -134.767 flat angles C4'-P-C4' energy: -138.686 flat angles P-C4'-P energy: -81.899 tors. eta vs tors. theta energy: -44.295 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: 7 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -926.336961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.336961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.336961 (E_RNA) where: Base-Base interactions energy: -460.552 where: short stacking energy: -271.374 Base-Backbone interact. energy: -2.221 local terms energy: -463.563505 where: bonds (distance) C4'-P energy: -133.183 bonds (distance) P-C4' energy: -137.734 flat angles C4'-P-C4' energy: -116.664 flat angles P-C4'-P energy: -74.654 tors. eta vs tors. theta energy: -1.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -696.601689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.601689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.601689 (E_RNA) where: Base-Base interactions energy: -293.183 where: short stacking energy: -209.024 Base-Backbone interact. energy: 1.151 local terms energy: -404.569605 where: bonds (distance) C4'-P energy: -116.415 bonds (distance) P-C4' energy: -128.031 flat angles C4'-P-C4' energy: -108.239 flat angles P-C4'-P energy: -72.929 tors. eta vs tors. theta energy: 21.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2674.323077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.323077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.323077 (E_RNA) where: Base-Base interactions energy: -1804.001 where: short stacking energy: -836.585 Base-Backbone interact. energy: -3.803 local terms energy: -866.518739 where: bonds (distance) C4'-P energy: -155.583 bonds (distance) P-C4' energy: -156.761 flat angles C4'-P-C4' energy: -185.779 flat angles P-C4'-P energy: -126.926 tors. eta vs tors. theta energy: -241.471 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: 3 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2583.107689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.107689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.107689 (E_RNA) where: Base-Base interactions energy: -1776.806 where: short stacking energy: -733.813 Base-Backbone interact. energy: -1.126 local terms energy: -805.175655 where: bonds (distance) C4'-P energy: -140.196 bonds (distance) P-C4' energy: -159.456 flat angles C4'-P-C4' energy: -173.625 flat angles P-C4'-P energy: -115.479 tors. eta vs tors. theta energy: -216.420 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: 9 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2481.523903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.523903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.523903 (E_RNA) where: Base-Base interactions energy: -1671.354 where: short stacking energy: -762.012 Base-Backbone interact. energy: -2.998 local terms energy: -807.172323 where: bonds (distance) C4'-P energy: -143.938 bonds (distance) P-C4' energy: -153.952 flat angles C4'-P-C4' energy: -186.316 flat angles P-C4'-P energy: -118.443 tors. eta vs tors. theta energy: -204.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2352.080098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.080098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.080098 (E_RNA) where: Base-Base interactions energy: -1582.319 where: short stacking energy: -704.260 Base-Backbone interact. energy: -4.787 local terms energy: -764.973912 where: bonds (distance) C4'-P energy: -160.590 bonds (distance) P-C4' energy: -127.521 flat angles C4'-P-C4' energy: -172.789 flat angles P-C4'-P energy: -109.998 tors. eta vs tors. theta energy: -194.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2229.526352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.526352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.526352 (E_RNA) where: Base-Base interactions energy: -1523.662 where: short stacking energy: -652.804 Base-Backbone interact. energy: 0.125 local terms energy: -705.990035 where: bonds (distance) C4'-P energy: -145.730 bonds (distance) P-C4' energy: -159.853 flat angles C4'-P-C4' energy: -155.203 flat angles P-C4'-P energy: -101.437 tors. eta vs tors. theta energy: -143.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1905.203239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.203239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.203239 (E_RNA) where: Base-Base interactions energy: -1258.939 where: short stacking energy: -508.610 Base-Backbone interact. energy: 0.611 local terms energy: -646.876103 where: bonds (distance) C4'-P energy: -137.727 bonds (distance) P-C4' energy: -129.133 flat angles C4'-P-C4' energy: -150.190 flat angles P-C4'-P energy: -104.408 tors. eta vs tors. theta energy: -125.417 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: 4 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1765.471607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.471607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.471607 (E_RNA) where: Base-Base interactions energy: -1126.730 where: short stacking energy: -490.040 Base-Backbone interact. energy: -1.678 local terms energy: -637.063285 where: bonds (distance) C4'-P energy: -131.303 bonds (distance) P-C4' energy: -154.276 flat angles C4'-P-C4' energy: -141.222 flat angles P-C4'-P energy: -90.933 tors. eta vs tors. theta energy: -119.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1264.294123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.294123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.294123 (E_RNA) where: Base-Base interactions energy: -711.816 where: short stacking energy: -361.926 Base-Backbone interact. energy: -2.244 local terms energy: -550.234666 where: bonds (distance) C4'-P energy: -128.429 bonds (distance) P-C4' energy: -130.924 flat angles C4'-P-C4' energy: -151.657 flat angles P-C4'-P energy: -75.965 tors. eta vs tors. theta energy: -63.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -950.759154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.759154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.759154 (E_RNA) where: Base-Base interactions energy: -478.909 where: short stacking energy: -277.467 Base-Backbone interact. energy: -1.792 local terms energy: -470.058111 where: bonds (distance) C4'-P energy: -118.979 bonds (distance) P-C4' energy: -140.743 flat angles C4'-P-C4' energy: -88.333 flat angles P-C4'-P energy: -74.004 tors. eta vs tors. theta energy: -47.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -705.191880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.191880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.191880 (E_RNA) where: Base-Base interactions energy: -304.151 where: short stacking energy: -212.915 Base-Backbone interact. energy: 0.135 local terms energy: -401.175371 where: bonds (distance) C4'-P energy: -104.048 bonds (distance) P-C4' energy: -134.161 flat angles C4'-P-C4' energy: -120.111 flat angles P-C4'-P energy: -66.009 tors. eta vs tors. theta energy: 23.153 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: 1 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2696.712412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.712412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.712412 (E_RNA) where: Base-Base interactions energy: -1816.593 where: short stacking energy: -840.136 Base-Backbone interact. energy: 1.788 local terms energy: -881.907906 where: bonds (distance) C4'-P energy: -168.123 bonds (distance) P-C4' energy: -157.889 flat angles C4'-P-C4' energy: -187.351 flat angles P-C4'-P energy: -124.858 tors. eta vs tors. theta energy: -243.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2548.243539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.243539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.243539 (E_RNA) where: Base-Base interactions energy: -1733.296 where: short stacking energy: -748.186 Base-Backbone interact. energy: -2.952 local terms energy: -811.996072 where: bonds (distance) C4'-P energy: -141.927 bonds (distance) P-C4' energy: -156.850 flat angles C4'-P-C4' energy: -177.026 flat angles P-C4'-P energy: -127.426 tors. eta vs tors. theta energy: -208.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2447.064804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.064804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.064804 (E_RNA) where: Base-Base interactions energy: -1658.283 where: short stacking energy: -690.700 Base-Backbone interact. energy: -2.009 local terms energy: -786.773313 where: bonds (distance) C4'-P energy: -136.469 bonds (distance) P-C4' energy: -168.006 flat angles C4'-P-C4' energy: -178.887 flat angles P-C4'-P energy: -116.372 tors. eta vs tors. theta energy: -187.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2302.603417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.603417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.603417 (E_RNA) where: Base-Base interactions energy: -1522.023 where: short stacking energy: -689.073 Base-Backbone interact. energy: -1.513 local terms energy: -779.067132 where: bonds (distance) C4'-P energy: -148.051 bonds (distance) P-C4' energy: -145.324 flat angles C4'-P-C4' energy: -181.546 flat angles P-C4'-P energy: -103.605 tors. eta vs tors. theta energy: -200.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2223.619919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.619919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.619919 (E_RNA) where: Base-Base interactions energy: -1518.726 where: short stacking energy: -647.980 Base-Backbone interact. energy: -2.535 local terms energy: -702.358907 where: bonds (distance) C4'-P energy: -128.852 bonds (distance) P-C4' energy: -137.972 flat angles C4'-P-C4' energy: -183.125 flat angles P-C4'-P energy: -92.122 tors. eta vs tors. theta energy: -160.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1825.323799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.323799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.323799 (E_RNA) where: Base-Base interactions energy: -1183.890 where: short stacking energy: -508.485 Base-Backbone interact. energy: 4.523 local terms energy: -645.957137 where: bonds (distance) C4'-P energy: -150.716 bonds (distance) P-C4' energy: -140.974 flat angles C4'-P-C4' energy: -143.126 flat angles P-C4'-P energy: -95.203 tors. eta vs tors. theta energy: -115.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1729.776026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.776026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.776026 (E_RNA) where: Base-Base interactions energy: -1130.237 where: short stacking energy: -489.285 Base-Backbone interact. energy: 4.286 local terms energy: -603.825117 where: bonds (distance) C4'-P energy: -142.999 bonds (distance) P-C4' energy: -137.003 flat angles C4'-P-C4' energy: -132.973 flat angles P-C4'-P energy: -92.284 tors. eta vs tors. theta energy: -98.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1300.780760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.780760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.780760 (E_RNA) where: Base-Base interactions energy: -745.919 where: short stacking energy: -403.761 Base-Backbone interact. energy: 1.715 local terms energy: -556.576828 where: bonds (distance) C4'-P energy: -113.940 bonds (distance) P-C4' energy: -157.611 flat angles C4'-P-C4' energy: -134.678 flat angles P-C4'-P energy: -75.050 tors. eta vs tors. theta energy: -75.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1003.281581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.281581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.281581 (E_RNA) where: Base-Base interactions energy: -522.160 where: short stacking energy: -325.384 Base-Backbone interact. energy: 3.349 local terms energy: -484.470179 where: bonds (distance) C4'-P energy: -116.860 bonds (distance) P-C4' energy: -142.808 flat angles C4'-P-C4' energy: -121.663 flat angles P-C4'-P energy: -71.588 tors. eta vs tors. theta energy: -31.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -634.475528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.475528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.475528 (E_RNA) where: Base-Base interactions energy: -249.873 where: short stacking energy: -173.515 Base-Backbone interact. energy: -4.663 local terms energy: -379.940422 where: bonds (distance) C4'-P energy: -118.540 bonds (distance) P-C4' energy: -148.120 flat angles C4'-P-C4' energy: -108.002 flat angles P-C4'-P energy: -63.299 tors. eta vs tors. theta energy: 58.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2681.288185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.288185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.288185 (E_RNA) where: Base-Base interactions energy: -1782.759 where: short stacking energy: -814.966 Base-Backbone interact. energy: -3.585 local terms energy: -894.943828 where: bonds (distance) C4'-P energy: -159.948 bonds (distance) P-C4' energy: -179.360 flat angles C4'-P-C4' energy: -192.725 flat angles P-C4'-P energy: -125.021 tors. eta vs tors. theta energy: -237.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2554.112857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.112857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.112857 (E_RNA) where: Base-Base interactions energy: -1732.210 where: short stacking energy: -764.178 Base-Backbone interact. energy: 0.937 local terms energy: -822.839540 where: bonds (distance) C4'-P energy: -161.252 bonds (distance) P-C4' energy: -171.335 flat angles C4'-P-C4' energy: -180.185 flat angles P-C4'-P energy: -105.578 tors. eta vs tors. theta energy: -204.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2430.360984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.360984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.360984 (E_RNA) where: Base-Base interactions energy: -1637.102 where: short stacking energy: -715.734 Base-Backbone interact. energy: -3.915 local terms energy: -789.343677 where: bonds (distance) C4'-P energy: -171.966 bonds (distance) P-C4' energy: -157.462 flat angles C4'-P-C4' energy: -172.686 flat angles P-C4'-P energy: -99.152 tors. eta vs tors. theta energy: -188.078 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: 6 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2329.011968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.011968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.011968 (E_RNA) where: Base-Base interactions energy: -1569.915 where: short stacking energy: -699.046 Base-Backbone interact. energy: 3.713 local terms energy: -762.810021 where: bonds (distance) C4'-P energy: -146.480 bonds (distance) P-C4' energy: -160.004 flat angles C4'-P-C4' energy: -159.464 flat angles P-C4'-P energy: -108.195 tors. eta vs tors. theta energy: -188.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2250.351436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.351436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.351436 (E_RNA) where: Base-Base interactions energy: -1534.244 where: short stacking energy: -643.598 Base-Backbone interact. energy: -0.675 local terms energy: -715.432610 where: bonds (distance) C4'-P energy: -151.133 bonds (distance) P-C4' energy: -152.176 flat angles C4'-P-C4' energy: -155.454 flat angles P-C4'-P energy: -101.306 tors. eta vs tors. theta energy: -155.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1850.200488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.200488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.200488 (E_RNA) where: Base-Base interactions energy: -1217.218 where: short stacking energy: -523.628 Base-Backbone interact. energy: 2.984 local terms energy: -635.967087 where: bonds (distance) C4'-P energy: -153.788 bonds (distance) P-C4' energy: -147.749 flat angles C4'-P-C4' energy: -149.865 flat angles P-C4'-P energy: -85.955 tors. eta vs tors. theta energy: -98.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1747.122082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.122082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.122082 (E_RNA) where: Base-Base interactions energy: -1081.988 where: short stacking energy: -482.004 Base-Backbone interact. energy: -0.714 local terms energy: -664.420039 where: bonds (distance) C4'-P energy: -164.547 bonds (distance) P-C4' energy: -149.897 flat angles C4'-P-C4' energy: -143.207 flat angles P-C4'-P energy: -99.888 tors. eta vs tors. theta energy: -106.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1223.196854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.196854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.196854 (E_RNA) where: Base-Base interactions energy: -689.530 where: short stacking energy: -348.903 Base-Backbone interact. energy: -4.593 local terms energy: -529.073116 where: bonds (distance) C4'-P energy: -131.542 bonds (distance) P-C4' energy: -137.237 flat angles C4'-P-C4' energy: -110.045 flat angles P-C4'-P energy: -99.563 tors. eta vs tors. theta energy: -50.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -904.919447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.919447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.919447 (E_RNA) where: Base-Base interactions energy: -455.598 where: short stacking energy: -275.573 Base-Backbone interact. energy: 3.209 local terms energy: -452.530586 where: bonds (distance) C4'-P energy: -124.852 bonds (distance) P-C4' energy: -139.144 flat angles C4'-P-C4' energy: -117.459 flat angles P-C4'-P energy: -54.603 tors. eta vs tors. theta energy: -16.472 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: 10 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -659.729557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.729557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.729557 (E_RNA) where: Base-Base interactions energy: -236.209 where: short stacking energy: -171.016 Base-Backbone interact. energy: 2.308 local terms energy: -425.828039 where: bonds (distance) C4'-P energy: -124.185 bonds (distance) P-C4' energy: -127.440 flat angles C4'-P-C4' energy: -137.852 flat angles P-C4'-P energy: -73.735 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: 1, replica: 1 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2666.857170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.857170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.857170 (E_RNA) where: Base-Base interactions energy: -1818.561 where: short stacking energy: -794.917 Base-Backbone interact. energy: -2.104 local terms energy: -846.191737 where: bonds (distance) C4'-P energy: -144.100 bonds (distance) P-C4' energy: -167.102 flat angles C4'-P-C4' energy: -188.173 flat angles P-C4'-P energy: -118.251 tors. eta vs tors. theta energy: -228.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2587.293123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.293123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.293123 (E_RNA) where: Base-Base interactions energy: -1750.981 where: short stacking energy: -786.661 Base-Backbone interact. energy: 2.336 local terms energy: -838.648466 where: bonds (distance) C4'-P energy: -156.718 bonds (distance) P-C4' energy: -168.816 flat angles C4'-P-C4' energy: -168.227 flat angles P-C4'-P energy: -124.281 tors. eta vs tors. theta energy: -220.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2483.803146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.803146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.803146 (E_RNA) where: Base-Base interactions energy: -1723.123 where: short stacking energy: -709.929 Base-Backbone interact. energy: 1.544 local terms energy: -762.224238 where: bonds (distance) C4'-P energy: -153.800 bonds (distance) P-C4' energy: -159.463 flat angles C4'-P-C4' energy: -155.226 flat angles P-C4'-P energy: -111.532 tors. eta vs tors. theta energy: -182.203 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: 6 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2350.662542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.662542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.662542 (E_RNA) where: Base-Base interactions energy: -1593.706 where: short stacking energy: -701.617 Base-Backbone interact. energy: -3.034 local terms energy: -753.923092 where: bonds (distance) C4'-P energy: -137.308 bonds (distance) P-C4' energy: -151.826 flat angles C4'-P-C4' energy: -152.331 flat angles P-C4'-P energy: -107.864 tors. eta vs tors. theta energy: -204.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2185.700311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.700311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.700311 (E_RNA) where: Base-Base interactions energy: -1481.801 where: short stacking energy: -629.651 Base-Backbone interact. energy: -3.684 local terms energy: -700.215475 where: bonds (distance) C4'-P energy: -134.246 bonds (distance) P-C4' energy: -151.421 flat angles C4'-P-C4' energy: -156.474 flat angles P-C4'-P energy: -102.902 tors. eta vs tors. theta energy: -155.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1882.648104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.648104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.648104 (E_RNA) where: Base-Base interactions energy: -1202.154 where: short stacking energy: -535.526 Base-Backbone interact. energy: -1.320 local terms energy: -679.173814 where: bonds (distance) C4'-P energy: -155.844 bonds (distance) P-C4' energy: -148.983 flat angles C4'-P-C4' energy: -146.484 flat angles P-C4'-P energy: -101.537 tors. eta vs tors. theta energy: -126.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1699.844379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.844379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.844379 (E_RNA) where: Base-Base interactions energy: -1102.511 where: short stacking energy: -479.333 Base-Backbone interact. energy: -1.088 local terms energy: -596.246103 where: bonds (distance) C4'-P energy: -125.894 bonds (distance) P-C4' energy: -161.681 flat angles C4'-P-C4' energy: -141.107 flat angles P-C4'-P energy: -75.284 tors. eta vs tors. theta energy: -92.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1266.504173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.504173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.504173 (E_RNA) where: Base-Base interactions energy: -770.058 where: short stacking energy: -389.638 Base-Backbone interact. energy: -3.483 local terms energy: -492.962485 where: bonds (distance) C4'-P energy: -134.362 bonds (distance) P-C4' energy: -138.656 flat angles C4'-P-C4' energy: -110.484 flat angles P-C4'-P energy: -64.726 tors. eta vs tors. theta energy: -44.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -889.442783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.442783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.442783 (E_RNA) where: Base-Base interactions energy: -438.932 where: short stacking energy: -248.729 Base-Backbone interact. energy: -2.330 local terms energy: -448.180771 where: bonds (distance) C4'-P energy: -127.117 bonds (distance) P-C4' energy: -153.429 flat angles C4'-P-C4' energy: -111.243 flat angles P-C4'-P energy: -68.305 tors. eta vs tors. theta energy: 11.913 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: 10 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -613.907478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.907478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.907478 (E_RNA) where: Base-Base interactions energy: -222.118 where: short stacking energy: -175.048 Base-Backbone interact. energy: -0.991 local terms energy: -390.798832 where: bonds (distance) C4'-P energy: -116.024 bonds (distance) P-C4' energy: -129.434 flat angles C4'-P-C4' energy: -118.191 flat angles P-C4'-P energy: -53.128 tors. eta vs tors. theta energy: 25.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2643.603668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.603668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.603668 (E_RNA) where: Base-Base interactions energy: -1760.660 where: short stacking energy: -816.416 Base-Backbone interact. energy: -5.791 local terms energy: -877.152977 where: bonds (distance) C4'-P energy: -159.088 bonds (distance) P-C4' energy: -181.955 flat angles C4'-P-C4' energy: -179.816 flat angles P-C4'-P energy: -118.868 tors. eta vs tors. theta energy: -237.426 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: 3 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2522.913717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.913717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.913717 (E_RNA) where: Base-Base interactions energy: -1717.791 where: short stacking energy: -754.052 Base-Backbone interact. energy: -3.473 local terms energy: -801.649088 where: bonds (distance) C4'-P energy: -155.406 bonds (distance) P-C4' energy: -154.214 flat angles C4'-P-C4' energy: -175.823 flat angles P-C4'-P energy: -112.007 tors. eta vs tors. theta energy: -204.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2543.207390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.207390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.207390 (E_RNA) where: Base-Base interactions energy: -1724.571 where: short stacking energy: -763.309 Base-Backbone interact. energy: 3.213 local terms energy: -821.849679 where: bonds (distance) C4'-P energy: -143.748 bonds (distance) P-C4' energy: -161.398 flat angles C4'-P-C4' energy: -182.382 flat angles P-C4'-P energy: -125.063 tors. eta vs tors. theta energy: -209.258 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: 6 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2329.980266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.980266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.980266 (E_RNA) where: Base-Base interactions energy: -1574.071 where: short stacking energy: -696.262 Base-Backbone interact. energy: -3.613 local terms energy: -752.296231 where: bonds (distance) C4'-P energy: -141.582 bonds (distance) P-C4' energy: -131.524 flat angles C4'-P-C4' energy: -166.895 flat angles P-C4'-P energy: -106.229 tors. eta vs tors. theta energy: -206.065 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: 2 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2195.082794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.082794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.082794 (E_RNA) where: Base-Base interactions energy: -1507.641 where: short stacking energy: -625.331 Base-Backbone interact. energy: -2.736 local terms energy: -684.706263 where: bonds (distance) C4'-P energy: -142.046 bonds (distance) P-C4' energy: -134.649 flat angles C4'-P-C4' energy: -151.892 flat angles P-C4'-P energy: -92.630 tors. eta vs tors. theta energy: -163.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1901.127675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.127675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.127675 (E_RNA) where: Base-Base interactions energy: -1257.794 where: short stacking energy: -547.090 Base-Backbone interact. energy: 0.012 local terms energy: -643.345426 where: bonds (distance) C4'-P energy: -135.484 bonds (distance) P-C4' energy: -134.291 flat angles C4'-P-C4' energy: -148.056 flat angles P-C4'-P energy: -87.688 tors. eta vs tors. theta energy: -137.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1714.049195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.049195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.049195 (E_RNA) where: Base-Base interactions energy: -1087.712 where: short stacking energy: -507.496 Base-Backbone interact. energy: -1.350 local terms energy: -624.987447 where: bonds (distance) C4'-P energy: -122.732 bonds (distance) P-C4' energy: -169.321 flat angles C4'-P-C4' energy: -137.035 flat angles P-C4'-P energy: -82.439 tors. eta vs tors. theta energy: -113.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1288.974669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.974669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.974669 (E_RNA) where: Base-Base interactions energy: -788.007 where: short stacking energy: -374.870 Base-Backbone interact. energy: -0.201 local terms energy: -500.767155 where: bonds (distance) C4'-P energy: -126.411 bonds (distance) P-C4' energy: -134.292 flat angles C4'-P-C4' energy: -131.780 flat angles P-C4'-P energy: -70.812 tors. eta vs tors. theta energy: -37.471 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: 7 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -870.315582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.315582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.315582 (E_RNA) where: Base-Base interactions energy: -404.387 where: short stacking energy: -267.240 Base-Backbone interact. energy: -2.770 local terms energy: -463.158155 where: bonds (distance) C4'-P energy: -121.486 bonds (distance) P-C4' energy: -144.105 flat angles C4'-P-C4' energy: -122.012 flat angles P-C4'-P energy: -71.318 tors. eta vs tors. theta energy: -4.238 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: 10 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -648.866368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.866368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.866368 (E_RNA) where: Base-Base interactions energy: -255.967 where: short stacking energy: -173.869 Base-Backbone interact. energy: -1.936 local terms energy: -390.963648 where: bonds (distance) C4'-P energy: -100.048 bonds (distance) P-C4' energy: -115.924 flat angles C4'-P-C4' energy: -131.269 flat angles P-C4'-P energy: -83.243 tors. eta vs tors. theta energy: 39.522 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: 1 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2653.417352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.417352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.417352 (E_RNA) where: Base-Base interactions energy: -1795.157 where: short stacking energy: -795.937 Base-Backbone interact. energy: 0.280 local terms energy: -858.539934 where: bonds (distance) C4'-P energy: -163.052 bonds (distance) P-C4' energy: -147.823 flat angles C4'-P-C4' energy: -180.446 flat angles P-C4'-P energy: -127.586 tors. eta vs tors. theta energy: -239.632 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: 2, replica: 3 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2489.588950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.588950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.588950 (E_RNA) where: Base-Base interactions energy: -1689.559 where: short stacking energy: -706.565 Base-Backbone interact. energy: -3.904 local terms energy: -796.126374 where: bonds (distance) C4'-P energy: -163.284 bonds (distance) P-C4' energy: -144.440 flat angles C4'-P-C4' energy: -181.743 flat angles P-C4'-P energy: -119.675 tors. eta vs tors. theta energy: -186.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2478.148467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.148467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.148467 (E_RNA) where: Base-Base interactions energy: -1673.473 where: short stacking energy: -767.195 Base-Backbone interact. energy: 0.858 local terms energy: -805.533296 where: bonds (distance) C4'-P energy: -158.598 bonds (distance) P-C4' energy: -148.419 flat angles C4'-P-C4' energy: -185.192 flat angles P-C4'-P energy: -104.362 tors. eta vs tors. theta energy: -208.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2331.952180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.952180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.952180 (E_RNA) where: Base-Base interactions energy: -1581.636 where: short stacking energy: -685.013 Base-Backbone interact. energy: -0.280 local terms energy: -750.036345 where: bonds (distance) C4'-P energy: -136.398 bonds (distance) P-C4' energy: -165.988 flat angles C4'-P-C4' energy: -172.697 flat angles P-C4'-P energy: -102.997 tors. eta vs tors. theta energy: -171.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2212.024324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.024324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.024324 (E_RNA) where: Base-Base interactions energy: -1455.076 where: short stacking energy: -656.987 Base-Backbone interact. energy: 2.113 local terms energy: -759.060687 where: bonds (distance) C4'-P energy: -147.020 bonds (distance) P-C4' energy: -162.599 flat angles C4'-P-C4' energy: -159.532 flat angles P-C4'-P energy: -92.054 tors. eta vs tors. theta energy: -197.856 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: 5 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1907.413591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.413591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.413591 (E_RNA) where: Base-Base interactions energy: -1251.877 where: short stacking energy: -545.119 Base-Backbone interact. energy: -3.510 local terms energy: -652.026919 where: bonds (distance) C4'-P energy: -140.022 bonds (distance) P-C4' energy: -158.012 flat angles C4'-P-C4' energy: -150.361 flat angles P-C4'-P energy: -85.362 tors. eta vs tors. theta energy: -118.270 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: 4 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1691.212929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.212929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.212929 (E_RNA) where: Base-Base interactions energy: -1070.091 where: short stacking energy: -488.235 Base-Backbone interact. energy: 2.932 local terms energy: -624.054096 where: bonds (distance) C4'-P energy: -153.657 bonds (distance) P-C4' energy: -142.419 flat angles C4'-P-C4' energy: -143.991 flat angles P-C4'-P energy: -79.011 tors. eta vs tors. theta energy: -104.975 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: 8, replica: 8 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1296.920057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.920057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.920057 (E_RNA) where: Base-Base interactions energy: -777.948 where: short stacking energy: -376.824 Base-Backbone interact. energy: -0.747 local terms energy: -518.224823 where: bonds (distance) C4'-P energy: -118.011 bonds (distance) P-C4' energy: -142.543 flat angles C4'-P-C4' energy: -139.057 flat angles P-C4'-P energy: -84.849 tors. eta vs tors. theta energy: -33.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -877.019932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.019932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.019932 (E_RNA) where: Base-Base interactions energy: -396.391 where: short stacking energy: -248.091 Base-Backbone interact. energy: 9.981 local terms energy: -490.609938 where: bonds (distance) C4'-P energy: -134.159 bonds (distance) P-C4' energy: -153.405 flat angles C4'-P-C4' energy: -119.879 flat angles P-C4'-P energy: -77.618 tors. eta vs tors. theta energy: -5.550 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: 10 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -689.690364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.690364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.690364 (E_RNA) where: Base-Base interactions energy: -283.773 where: short stacking energy: -183.807 Base-Backbone interact. energy: -1.225 local terms energy: -404.691719 where: bonds (distance) C4'-P energy: -129.885 bonds (distance) P-C4' energy: -140.835 flat angles C4'-P-C4' energy: -92.605 flat angles P-C4'-P energy: -71.007 tors. eta vs tors. theta energy: 29.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2712.721074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.721074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.721074 (E_RNA) where: Base-Base interactions energy: -1847.257 where: short stacking energy: -818.662 Base-Backbone interact. energy: -0.338 local terms energy: -865.125796 where: bonds (distance) C4'-P energy: -153.184 bonds (distance) P-C4' energy: -159.802 flat angles C4'-P-C4' energy: -181.869 flat angles P-C4'-P energy: -133.782 tors. eta vs tors. theta energy: -236.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2472.207455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.207455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.207455 (E_RNA) where: Base-Base interactions energy: -1662.619 where: short stacking energy: -705.815 Base-Backbone interact. energy: -0.396 local terms energy: -809.191906 where: bonds (distance) C4'-P energy: -163.543 bonds (distance) P-C4' energy: -156.074 flat angles C4'-P-C4' energy: -179.870 flat angles P-C4'-P energy: -115.501 tors. eta vs tors. theta energy: -194.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2474.142699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.142699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.142699 (E_RNA) where: Base-Base interactions energy: -1744.416 where: short stacking energy: -734.963 Base-Backbone interact. energy: 0.653 local terms energy: -730.379882 where: bonds (distance) C4'-P energy: -143.290 bonds (distance) P-C4' energy: -135.549 flat angles C4'-P-C4' energy: -153.982 flat angles P-C4'-P energy: -106.847 tors. eta vs tors. theta energy: -190.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2324.074476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.074476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.074476 (E_RNA) where: Base-Base interactions energy: -1594.639 where: short stacking energy: -682.500 Base-Backbone interact. energy: -3.276 local terms energy: -726.159232 where: bonds (distance) C4'-P energy: -139.644 bonds (distance) P-C4' energy: -152.828 flat angles C4'-P-C4' energy: -169.747 flat angles P-C4'-P energy: -104.205 tors. eta vs tors. theta energy: -159.734 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: 6 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2145.625875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.625875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.625875 (E_RNA) where: Base-Base interactions energy: -1413.595 where: short stacking energy: -641.586 Base-Backbone interact. energy: -0.302 local terms energy: -731.729341 where: bonds (distance) C4'-P energy: -132.158 bonds (distance) P-C4' energy: -146.120 flat angles C4'-P-C4' energy: -160.445 flat angles P-C4'-P energy: -114.721 tors. eta vs tors. theta energy: -178.285 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: 5 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1845.376223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.376223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.376223 (E_RNA) where: Base-Base interactions energy: -1185.100 where: short stacking energy: -526.395 Base-Backbone interact. energy: -3.951 local terms energy: -656.324719 where: bonds (distance) C4'-P energy: -152.686 bonds (distance) P-C4' energy: -148.098 flat angles C4'-P-C4' energy: -156.243 flat angles P-C4'-P energy: -93.118 tors. eta vs tors. theta energy: -106.179 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: 7, replica: 4 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1608.896941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.896941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.896941 (E_RNA) where: Base-Base interactions energy: -1002.934 where: short stacking energy: -464.568 Base-Backbone interact. energy: -1.913 local terms energy: -604.049988 where: bonds (distance) C4'-P energy: -126.699 bonds (distance) P-C4' energy: -139.158 flat angles C4'-P-C4' energy: -149.767 flat angles P-C4'-P energy: -89.233 tors. eta vs tors. theta energy: -99.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1355.105753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.105753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.105753 (E_RNA) where: Base-Base interactions energy: -809.049 where: short stacking energy: -394.548 Base-Backbone interact. energy: -5.356 local terms energy: -540.701219 where: bonds (distance) C4'-P energy: -126.572 bonds (distance) P-C4' energy: -134.888 flat angles C4'-P-C4' energy: -147.454 flat angles P-C4'-P energy: -70.967 tors. eta vs tors. theta energy: -60.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -857.257682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.257682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.257682 (E_RNA) where: Base-Base interactions energy: -407.455 where: short stacking energy: -226.322 Base-Backbone interact. energy: 2.945 local terms energy: -452.747265 where: bonds (distance) C4'-P energy: -141.319 bonds (distance) P-C4' energy: -148.420 flat angles C4'-P-C4' energy: -117.347 flat angles P-C4'-P energy: -40.929 tors. eta vs tors. theta energy: -4.733 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: 10 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -713.457440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.457440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.457440 (E_RNA) where: Base-Base interactions energy: -303.446 where: short stacking energy: -187.660 Base-Backbone interact. energy: -3.325 local terms energy: -406.687243 where: bonds (distance) C4'-P energy: -107.202 bonds (distance) P-C4' energy: -136.774 flat angles C4'-P-C4' energy: -123.992 flat angles P-C4'-P energy: -64.710 tors. eta vs tors. theta energy: 25.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2662.310417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.310417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.310417 (E_RNA) where: Base-Base interactions energy: -1797.721 where: short stacking energy: -805.059 Base-Backbone interact. energy: -4.693 local terms energy: -859.896223 where: bonds (distance) C4'-P energy: -160.630 bonds (distance) P-C4' energy: -142.180 flat angles C4'-P-C4' energy: -192.567 flat angles P-C4'-P energy: -129.802 tors. eta vs tors. theta energy: -234.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2455.308198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.308198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.308198 (E_RNA) where: Base-Base interactions energy: -1646.196 where: short stacking energy: -692.656 Base-Backbone interact. energy: -3.194 local terms energy: -805.917343 where: bonds (distance) C4'-P energy: -152.994 bonds (distance) P-C4' energy: -164.761 flat angles C4'-P-C4' energy: -175.033 flat angles P-C4'-P energy: -123.886 tors. eta vs tors. theta energy: -189.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2482.735191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.735191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.735191 (E_RNA) where: Base-Base interactions energy: -1678.003 where: short stacking energy: -730.557 Base-Backbone interact. energy: -7.112 local terms energy: -797.620298 where: bonds (distance) C4'-P energy: -144.646 bonds (distance) P-C4' energy: -156.401 flat angles C4'-P-C4' energy: -164.723 flat angles P-C4'-P energy: -117.143 tors. eta vs tors. theta energy: -214.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2366.444579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.444579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.444579 (E_RNA) where: Base-Base interactions energy: -1600.860 where: short stacking energy: -668.335 Base-Backbone interact. energy: 0.759 local terms energy: -766.343635 where: bonds (distance) C4'-P energy: -160.201 bonds (distance) P-C4' energy: -155.865 flat angles C4'-P-C4' energy: -183.585 flat angles P-C4'-P energy: -91.407 tors. eta vs tors. theta energy: -175.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2067.915370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.915370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.915370 (E_RNA) where: Base-Base interactions energy: -1371.304 where: short stacking energy: -627.384 Base-Backbone interact. energy: -1.111 local terms energy: -695.499926 where: bonds (distance) C4'-P energy: -134.080 bonds (distance) P-C4' energy: -144.541 flat angles C4'-P-C4' energy: -150.649 flat angles P-C4'-P energy: -101.347 tors. eta vs tors. theta energy: -164.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1834.586301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.586301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.586301 (E_RNA) where: Base-Base interactions energy: -1216.260 where: short stacking energy: -510.797 Base-Backbone interact. energy: -1.683 local terms energy: -616.643531 where: bonds (distance) C4'-P energy: -143.583 bonds (distance) P-C4' energy: -146.988 flat angles C4'-P-C4' energy: -134.460 flat angles P-C4'-P energy: -90.760 tors. eta vs tors. theta energy: -100.853 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: 4 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1606.983461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.983461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.983461 (E_RNA) where: Base-Base interactions energy: -1007.566 where: short stacking energy: -465.229 Base-Backbone interact. energy: -0.718 local terms energy: -598.698856 where: bonds (distance) C4'-P energy: -141.620 bonds (distance) P-C4' energy: -131.541 flat angles C4'-P-C4' energy: -147.459 flat angles P-C4'-P energy: -93.205 tors. eta vs tors. theta energy: -84.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1322.668606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.668606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.668606 (E_RNA) where: Base-Base interactions energy: -788.712 where: short stacking energy: -371.922 Base-Backbone interact. energy: -3.473 local terms energy: -530.483545 where: bonds (distance) C4'-P energy: -124.099 bonds (distance) P-C4' energy: -160.615 flat angles C4'-P-C4' energy: -117.698 flat angles P-C4'-P energy: -79.348 tors. eta vs tors. theta energy: -48.724 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: 7 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -854.200857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.200857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.200857 (E_RNA) where: Base-Base interactions energy: -432.303 where: short stacking energy: -230.621 Base-Backbone interact. energy: 2.450 local terms energy: -424.347736 where: bonds (distance) C4'-P energy: -120.810 bonds (distance) P-C4' energy: -126.943 flat angles C4'-P-C4' energy: -105.530 flat angles P-C4'-P energy: -76.063 tors. eta vs tors. theta energy: 4.998 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: 10, replica: 10 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -735.308585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.308585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.308585 (E_RNA) where: Base-Base interactions energy: -314.597 where: short stacking energy: -232.380 Base-Backbone interact. energy: 0.027 local terms energy: -420.738358 where: bonds (distance) C4'-P energy: -135.862 bonds (distance) P-C4' energy: -134.541 flat angles C4'-P-C4' energy: -98.959 flat angles P-C4'-P energy: -56.878 tors. eta vs tors. theta energy: 5.502 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: 1 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2694.973862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.973862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.973862 (E_RNA) where: Base-Base interactions energy: -1804.490 where: short stacking energy: -808.309 Base-Backbone interact. energy: -1.382 local terms energy: -889.101746 where: bonds (distance) C4'-P energy: -176.729 bonds (distance) P-C4' energy: -169.454 flat angles C4'-P-C4' energy: -186.682 flat angles P-C4'-P energy: -124.821 tors. eta vs tors. theta energy: -231.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2444.667226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.667226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.667226 (E_RNA) where: Base-Base interactions energy: -1663.440 where: short stacking energy: -722.511 Base-Backbone interact. energy: -2.429 local terms energy: -778.798833 where: bonds (distance) C4'-P energy: -153.886 bonds (distance) P-C4' energy: -158.031 flat angles C4'-P-C4' energy: -176.818 flat angles P-C4'-P energy: -104.563 tors. eta vs tors. theta energy: -185.500 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: 9 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2516.129903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.129903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.129903 (E_RNA) where: Base-Base interactions energy: -1699.637 where: short stacking energy: -721.399 Base-Backbone interact. energy: -3.221 local terms energy: -813.272268 where: bonds (distance) C4'-P energy: -164.168 bonds (distance) P-C4' energy: -166.058 flat angles C4'-P-C4' energy: -177.749 flat angles P-C4'-P energy: -106.800 tors. eta vs tors. theta energy: -198.498 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: 2 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2380.717789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.717789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.717789 (E_RNA) where: Base-Base interactions energy: -1613.584 where: short stacking energy: -698.847 Base-Backbone interact. energy: -3.889 local terms energy: -763.245325 where: bonds (distance) C4'-P energy: -144.090 bonds (distance) P-C4' energy: -158.627 flat angles C4'-P-C4' energy: -170.276 flat angles P-C4'-P energy: -103.706 tors. eta vs tors. theta energy: -186.547 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: 6 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2063.619485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.619485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.619485 (E_RNA) where: Base-Base interactions energy: -1363.494 where: short stacking energy: -604.864 Base-Backbone interact. energy: 0.213 local terms energy: -700.338445 where: bonds (distance) C4'-P energy: -156.560 bonds (distance) P-C4' energy: -152.420 flat angles C4'-P-C4' energy: -162.694 flat angles P-C4'-P energy: -80.647 tors. eta vs tors. theta energy: -148.016 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: 6, replica: 5 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1820.784462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.784462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.784462 (E_RNA) where: Base-Base interactions energy: -1176.615 where: short stacking energy: -507.696 Base-Backbone interact. energy: -4.520 local terms energy: -639.649309 where: bonds (distance) C4'-P energy: -145.223 bonds (distance) P-C4' energy: -142.007 flat angles C4'-P-C4' energy: -163.925 flat angles P-C4'-P energy: -98.007 tors. eta vs tors. theta energy: -90.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1546.304005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.304005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.304005 (E_RNA) where: Base-Base interactions energy: -953.955 where: short stacking energy: -469.289 Base-Backbone interact. energy: -0.858 local terms energy: -591.491572 where: bonds (distance) C4'-P energy: -118.566 bonds (distance) P-C4' energy: -157.993 flat angles C4'-P-C4' energy: -125.919 flat angles P-C4'-P energy: -88.762 tors. eta vs tors. theta energy: -100.251 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: 252 Temperature: 1.250000 Total energy: -1344.957678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.957678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.957678 (E_RNA) where: Base-Base interactions energy: -794.587 where: short stacking energy: -383.249 Base-Backbone interact. energy: -1.442 local terms energy: -548.928259 where: bonds (distance) C4'-P energy: -129.480 bonds (distance) P-C4' energy: -156.718 flat angles C4'-P-C4' energy: -125.297 flat angles P-C4'-P energy: -88.547 tors. eta vs tors. theta energy: -48.887 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: 7 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -843.292560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.292560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.292560 (E_RNA) where: Base-Base interactions energy: -388.510 where: short stacking energy: -251.080 Base-Backbone interact. energy: 0.526 local terms energy: -455.308697 where: bonds (distance) C4'-P energy: -144.514 bonds (distance) P-C4' energy: -118.613 flat angles C4'-P-C4' energy: -122.964 flat angles P-C4'-P energy: -63.487 tors. eta vs tors. theta energy: -5.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -714.570205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.570205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.570205 (E_RNA) where: Base-Base interactions energy: -308.237 where: short stacking energy: -245.307 Base-Backbone interact. energy: 6.257 local terms energy: -412.589997 where: bonds (distance) C4'-P energy: -128.791 bonds (distance) P-C4' energy: -138.315 flat angles C4'-P-C4' energy: -114.294 flat angles P-C4'-P energy: -52.714 tors. eta vs tors. theta energy: 21.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2708.432006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.432006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.432006 (E_RNA) where: Base-Base interactions energy: -1834.734 where: short stacking energy: -822.062 Base-Backbone interact. energy: 0.875 local terms energy: -874.573394 where: bonds (distance) C4'-P energy: -172.435 bonds (distance) P-C4' energy: -160.031 flat angles C4'-P-C4' energy: -181.531 flat angles P-C4'-P energy: -128.497 tors. eta vs tors. theta energy: -232.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2472.691754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.691754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.691754 (E_RNA) where: Base-Base interactions energy: -1678.833 where: short stacking energy: -706.613 Base-Backbone interact. energy: -1.704 local terms energy: -792.154577 where: bonds (distance) C4'-P energy: -160.921 bonds (distance) P-C4' energy: -143.263 flat angles C4'-P-C4' energy: -169.082 flat angles P-C4'-P energy: -117.063 tors. eta vs tors. theta energy: -201.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2537.157807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.157807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.157807 (E_RNA) where: Base-Base interactions energy: -1727.928 where: short stacking energy: -741.972 Base-Backbone interact. energy: 1.744 local terms energy: -810.974089 where: bonds (distance) C4'-P energy: -155.799 bonds (distance) P-C4' energy: -164.891 flat angles C4'-P-C4' energy: -180.874 flat angles P-C4'-P energy: -106.556 tors. eta vs tors. theta energy: -202.854 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: 253 Temperature: 1.050000 Total energy: -2355.110482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.110482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.110482 (E_RNA) where: Base-Base interactions energy: -1613.399 where: short stacking energy: -689.260 Base-Backbone interact. energy: -2.953 local terms energy: -738.757825 where: bonds (distance) C4'-P energy: -131.863 bonds (distance) P-C4' energy: -148.096 flat angles C4'-P-C4' energy: -166.466 flat angles P-C4'-P energy: -101.432 tors. eta vs tors. theta energy: -190.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2066.798113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.798113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.798113 (E_RNA) where: Base-Base interactions energy: -1376.471 where: short stacking energy: -583.107 Base-Backbone interact. energy: -3.900 local terms energy: -686.427530 where: bonds (distance) C4'-P energy: -164.307 bonds (distance) P-C4' energy: -138.142 flat angles C4'-P-C4' energy: -144.470 flat angles P-C4'-P energy: -99.227 tors. eta vs tors. theta energy: -140.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1839.755413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.755413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.755413 (E_RNA) where: Base-Base interactions energy: -1232.486 where: short stacking energy: -513.997 Base-Backbone interact. energy: -1.006 local terms energy: -606.263900 where: bonds (distance) C4'-P energy: -138.522 bonds (distance) P-C4' energy: -145.035 flat angles C4'-P-C4' energy: -147.404 flat angles P-C4'-P energy: -67.135 tors. eta vs tors. theta energy: -108.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1540.492632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.492632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.492632 (E_RNA) where: Base-Base interactions energy: -974.897 where: short stacking energy: -454.672 Base-Backbone interact. energy: -1.255 local terms energy: -564.340568 where: bonds (distance) C4'-P energy: -132.075 bonds (distance) P-C4' energy: -144.539 flat angles C4'-P-C4' energy: -136.646 flat angles P-C4'-P energy: -70.329 tors. eta vs tors. theta energy: -80.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1396.249550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.249550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.249550 (E_RNA) where: Base-Base interactions energy: -873.510 where: short stacking energy: -386.720 Base-Backbone interact. energy: 1.983 local terms energy: -524.723063 where: bonds (distance) C4'-P energy: -132.045 bonds (distance) P-C4' energy: -139.778 flat angles C4'-P-C4' energy: -116.173 flat angles P-C4'-P energy: -83.708 tors. eta vs tors. theta energy: -53.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -912.968114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.968114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.968114 (E_RNA) where: Base-Base interactions energy: -455.299 where: short stacking energy: -254.744 Base-Backbone interact. energy: 0.430 local terms energy: -458.099219 where: bonds (distance) C4'-P energy: -132.283 bonds (distance) P-C4' energy: -131.817 flat angles C4'-P-C4' energy: -110.410 flat angles P-C4'-P energy: -81.150 tors. eta vs tors. theta energy: -2.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -667.967661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.967661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.967661 (E_RNA) where: Base-Base interactions energy: -263.430 where: short stacking energy: -188.622 Base-Backbone interact. energy: -2.207 local terms energy: -402.330899 where: bonds (distance) C4'-P energy: -117.845 bonds (distance) P-C4' energy: -157.586 flat angles C4'-P-C4' energy: -114.779 flat angles P-C4'-P energy: -44.979 tors. eta vs tors. theta energy: 32.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2675.954471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.954471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.954471 (E_RNA) where: Base-Base interactions energy: -1807.766 where: short stacking energy: -835.726 Base-Backbone interact. energy: -3.765 local terms energy: -864.423084 where: bonds (distance) C4'-P energy: -153.423 bonds (distance) P-C4' energy: -174.600 flat angles C4'-P-C4' energy: -181.921 flat angles P-C4'-P energy: -119.760 tors. eta vs tors. theta energy: -234.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2501.405194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.405194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.405194 (E_RNA) where: Base-Base interactions energy: -1690.720 where: short stacking energy: -731.262 Base-Backbone interact. energy: 0.079 local terms energy: -810.764130 where: bonds (distance) C4'-P energy: -151.185 bonds (distance) P-C4' energy: -174.434 flat angles C4'-P-C4' energy: -172.446 flat angles P-C4'-P energy: -111.784 tors. eta vs tors. theta energy: -200.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2509.801137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.801137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.801137 (E_RNA) where: Base-Base interactions energy: -1696.265 where: short stacking energy: -736.665 Base-Backbone interact. energy: -5.038 local terms energy: -808.498144 where: bonds (distance) C4'-P energy: -150.913 bonds (distance) P-C4' energy: -149.445 flat angles C4'-P-C4' energy: -184.021 flat angles P-C4'-P energy: -113.777 tors. eta vs tors. theta energy: -210.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2412.842281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.842281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.842281 (E_RNA) where: Base-Base interactions energy: -1669.414 where: short stacking energy: -718.574 Base-Backbone interact. energy: 0.409 local terms energy: -743.837438 where: bonds (distance) C4'-P energy: -148.997 bonds (distance) P-C4' energy: -140.793 flat angles C4'-P-C4' energy: -158.805 flat angles P-C4'-P energy: -103.409 tors. eta vs tors. theta energy: -191.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1989.225108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.225108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.225108 (E_RNA) where: Base-Base interactions energy: -1277.522 where: short stacking energy: -585.353 Base-Backbone interact. energy: -0.884 local terms energy: -710.818742 where: bonds (distance) C4'-P energy: -161.382 bonds (distance) P-C4' energy: -168.211 flat angles C4'-P-C4' energy: -157.101 flat angles P-C4'-P energy: -84.543 tors. eta vs tors. theta energy: -139.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1888.155435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.155435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.155435 (E_RNA) where: Base-Base interactions energy: -1241.918 where: short stacking energy: -548.789 Base-Backbone interact. energy: -0.516 local terms energy: -645.720523 where: bonds (distance) C4'-P energy: -138.016 bonds (distance) P-C4' energy: -148.839 flat angles C4'-P-C4' energy: -148.475 flat angles P-C4'-P energy: -96.597 tors. eta vs tors. theta energy: -113.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1573.666537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.666537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.666537 (E_RNA) where: Base-Base interactions energy: -949.855 where: short stacking energy: -466.515 Base-Backbone interact. energy: 1.234 local terms energy: -625.045288 where: bonds (distance) C4'-P energy: -133.918 bonds (distance) P-C4' energy: -146.847 flat angles C4'-P-C4' energy: -135.372 flat angles P-C4'-P energy: -94.340 tors. eta vs tors. theta energy: -114.568 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: 8 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1471.388141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.388141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.388141 (E_RNA) where: Base-Base interactions energy: -909.853 where: short stacking energy: -403.537 Base-Backbone interact. energy: 0.166 local terms energy: -561.701001 where: bonds (distance) C4'-P energy: -134.399 bonds (distance) P-C4' energy: -137.313 flat angles C4'-P-C4' energy: -147.411 flat angles P-C4'-P energy: -72.681 tors. eta vs tors. theta energy: -69.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -914.231150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.231150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.231150 (E_RNA) where: Base-Base interactions energy: -452.369 where: short stacking energy: -251.002 Base-Backbone interact. energy: -5.066 local terms energy: -456.796723 where: bonds (distance) C4'-P energy: -144.692 bonds (distance) P-C4' energy: -141.945 flat angles C4'-P-C4' energy: -95.166 flat angles P-C4'-P energy: -66.618 tors. eta vs tors. theta energy: -8.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -696.924537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.924537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.924537 (E_RNA) where: Base-Base interactions energy: -284.759 where: short stacking energy: -188.706 Base-Backbone interact. energy: -0.740 local terms energy: -411.425453 where: bonds (distance) C4'-P energy: -139.903 bonds (distance) P-C4' energy: -130.980 flat angles C4'-P-C4' energy: -106.163 flat angles P-C4'-P energy: -70.293 tors. eta vs tors. theta energy: 35.913 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: 1 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2696.720203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.720203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.720203 (E_RNA) where: Base-Base interactions energy: -1808.189 where: short stacking energy: -832.422 Base-Backbone interact. energy: 1.457 local terms energy: -889.988889 where: bonds (distance) C4'-P energy: -160.440 bonds (distance) P-C4' energy: -162.749 flat angles C4'-P-C4' energy: -194.619 flat angles P-C4'-P energy: -129.331 tors. eta vs tors. theta energy: -242.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2529.428708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.428708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.428708 (E_RNA) where: Base-Base interactions energy: -1698.162 where: short stacking energy: -747.414 Base-Backbone interact. energy: 0.010 local terms energy: -831.276634 where: bonds (distance) C4'-P energy: -143.960 bonds (distance) P-C4' energy: -187.234 flat angles C4'-P-C4' energy: -164.406 flat angles P-C4'-P energy: -124.117 tors. eta vs tors. theta energy: -211.560 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: 9 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2491.993904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.993904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.993904 (E_RNA) where: Base-Base interactions energy: -1699.600 where: short stacking energy: -729.407 Base-Backbone interact. energy: 1.388 local terms energy: -793.782750 where: bonds (distance) C4'-P energy: -154.769 bonds (distance) P-C4' energy: -160.782 flat angles C4'-P-C4' energy: -182.988 flat angles P-C4'-P energy: -109.875 tors. eta vs tors. theta energy: -185.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2418.750334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.750334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.750334 (E_RNA) where: Base-Base interactions energy: -1647.839 where: short stacking energy: -706.872 Base-Backbone interact. energy: -4.966 local terms energy: -765.945235 where: bonds (distance) C4'-P energy: -150.671 bonds (distance) P-C4' energy: -152.050 flat angles C4'-P-C4' energy: -169.331 flat angles P-C4'-P energy: -109.874 tors. eta vs tors. theta energy: -184.019 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: 6 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2008.339906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.339906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.339906 (E_RNA) where: Base-Base interactions energy: -1310.933 where: short stacking energy: -581.949 Base-Backbone interact. energy: -1.655 local terms energy: -695.752262 where: bonds (distance) C4'-P energy: -142.011 bonds (distance) P-C4' energy: -147.102 flat angles C4'-P-C4' energy: -153.344 flat angles P-C4'-P energy: -101.951 tors. eta vs tors. theta energy: -151.344 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: 6, replica: 5 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1887.228472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.228472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.228472 (E_RNA) where: Base-Base interactions energy: -1258.646 where: short stacking energy: -534.349 Base-Backbone interact. energy: -3.279 local terms energy: -625.303741 where: bonds (distance) C4'-P energy: -147.310 bonds (distance) P-C4' energy: -129.901 flat angles C4'-P-C4' energy: -140.488 flat angles P-C4'-P energy: -97.955 tors. eta vs tors. theta energy: -109.650 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: 4 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1633.790583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.790583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.790583 (E_RNA) where: Base-Base interactions energy: -1015.227 where: short stacking energy: -475.661 Base-Backbone interact. energy: 2.328 local terms energy: -620.891064 where: bonds (distance) C4'-P energy: -139.855 bonds (distance) P-C4' energy: -137.383 flat angles C4'-P-C4' energy: -140.367 flat angles P-C4'-P energy: -102.182 tors. eta vs tors. theta energy: -101.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1429.815449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.815449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.815449 (E_RNA) where: Base-Base interactions energy: -865.286 where: short stacking energy: -417.994 Base-Backbone interact. energy: -2.223 local terms energy: -562.305951 where: bonds (distance) C4'-P energy: -143.390 bonds (distance) P-C4' energy: -127.577 flat angles C4'-P-C4' energy: -148.630 flat angles P-C4'-P energy: -80.302 tors. eta vs tors. theta energy: -62.406 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: 7 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -944.745181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.745181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.745181 (E_RNA) where: Base-Base interactions energy: -470.782 where: short stacking energy: -259.103 Base-Backbone interact. energy: 1.918 local terms energy: -475.880824 where: bonds (distance) C4'-P energy: -129.501 bonds (distance) P-C4' energy: -137.616 flat angles C4'-P-C4' energy: -111.736 flat angles P-C4'-P energy: -75.781 tors. eta vs tors. theta energy: -21.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -688.068195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.068195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.068195 (E_RNA) where: Base-Base interactions energy: -257.879 where: short stacking energy: -165.020 Base-Backbone interact. energy: 1.833 local terms energy: -432.021805 where: bonds (distance) C4'-P energy: -118.546 bonds (distance) P-C4' energy: -150.116 flat angles C4'-P-C4' energy: -112.316 flat angles P-C4'-P energy: -77.677 tors. eta vs tors. theta energy: 26.633 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: 1 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2707.556228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.556228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.556228 (E_RNA) where: Base-Base interactions energy: -1824.152 where: short stacking energy: -838.152 Base-Backbone interact. energy: -0.779 local terms energy: -882.625243 where: bonds (distance) C4'-P energy: -162.456 bonds (distance) P-C4' energy: -166.190 flat angles C4'-P-C4' energy: -184.178 flat angles P-C4'-P energy: -122.518 tors. eta vs tors. theta energy: -247.284 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: 3 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2510.509549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.509549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.509549 (E_RNA) where: Base-Base interactions energy: -1690.037 where: short stacking energy: -756.765 Base-Backbone interact. energy: -0.795 local terms energy: -819.676784 where: bonds (distance) C4'-P energy: -146.090 bonds (distance) P-C4' energy: -178.515 flat angles C4'-P-C4' energy: -187.071 flat angles P-C4'-P energy: -114.794 tors. eta vs tors. theta energy: -193.206 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: 2 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2469.421888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.421888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.421888 (E_RNA) where: Base-Base interactions energy: -1658.486 where: short stacking energy: -724.044 Base-Backbone interact. energy: -3.803 local terms energy: -807.132033 where: bonds (distance) C4'-P energy: -164.304 bonds (distance) P-C4' energy: -165.987 flat angles C4'-P-C4' energy: -159.201 flat angles P-C4'-P energy: -108.375 tors. eta vs tors. theta energy: -209.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2431.292780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.292780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.292780 (E_RNA) where: Base-Base interactions energy: -1647.377 where: short stacking energy: -715.381 Base-Backbone interact. energy: -3.225 local terms energy: -780.691073 where: bonds (distance) C4'-P energy: -154.214 bonds (distance) P-C4' energy: -165.154 flat angles C4'-P-C4' energy: -166.136 flat angles P-C4'-P energy: -109.370 tors. eta vs tors. theta energy: -185.816 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: 5, replica: 5 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1951.085643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.085643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.085643 (E_RNA) where: Base-Base interactions energy: -1292.533 where: short stacking energy: -559.910 Base-Backbone interact. energy: -3.259 local terms energy: -655.292810 where: bonds (distance) C4'-P energy: -126.044 bonds (distance) P-C4' energy: -159.122 flat angles C4'-P-C4' energy: -150.554 flat angles P-C4'-P energy: -82.879 tors. eta vs tors. theta energy: -136.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -2012.971389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.971389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.971389 (E_RNA) where: Base-Base interactions energy: -1321.958 where: short stacking energy: -586.785 Base-Backbone interact. energy: -1.855 local terms energy: -689.157569 where: bonds (distance) C4'-P energy: -136.634 bonds (distance) P-C4' energy: -142.867 flat angles C4'-P-C4' energy: -154.280 flat angles P-C4'-P energy: -107.094 tors. eta vs tors. theta energy: -148.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1612.310398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.310398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.310398 (E_RNA) where: Base-Base interactions energy: -1014.118 where: short stacking energy: -459.834 Base-Backbone interact. energy: -1.317 local terms energy: -596.874568 where: bonds (distance) C4'-P energy: -145.086 bonds (distance) P-C4' energy: -119.081 flat angles C4'-P-C4' energy: -158.248 flat angles P-C4'-P energy: -80.228 tors. eta vs tors. theta energy: -94.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1471.134942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.134942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.134942 (E_RNA) where: Base-Base interactions energy: -920.645 where: short stacking energy: -439.228 Base-Backbone interact. energy: -2.821 local terms energy: -547.668445 where: bonds (distance) C4'-P energy: -139.897 bonds (distance) P-C4' energy: -143.195 flat angles C4'-P-C4' energy: -132.571 flat angles P-C4'-P energy: -67.765 tors. eta vs tors. theta energy: -64.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -988.020353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.020353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.020353 (E_RNA) where: Base-Base interactions energy: -513.826 where: short stacking energy: -272.459 Base-Backbone interact. energy: 8.946 local terms energy: -483.140247 where: bonds (distance) C4'-P energy: -138.300 bonds (distance) P-C4' energy: -122.600 flat angles C4'-P-C4' energy: -131.128 flat angles P-C4'-P energy: -77.880 tors. eta vs tors. theta energy: -13.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -650.354759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.354759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.354759 (E_RNA) where: Base-Base interactions energy: -270.164 where: short stacking energy: -198.802 Base-Backbone interact. energy: -4.591 local terms energy: -375.599281 where: bonds (distance) C4'-P energy: -131.158 bonds (distance) P-C4' energy: -137.323 flat angles C4'-P-C4' energy: -107.256 flat angles P-C4'-P energy: -36.848 tors. eta vs tors. theta energy: 36.985 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: 1 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2697.357752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.357752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.357752 (E_RNA) where: Base-Base interactions energy: -1815.356 where: short stacking energy: -809.609 Base-Backbone interact. energy: -0.028 local terms energy: -881.973260 where: bonds (distance) C4'-P energy: -168.629 bonds (distance) P-C4' energy: -159.202 flat angles C4'-P-C4' energy: -178.671 flat angles P-C4'-P energy: -140.191 tors. eta vs tors. theta energy: -235.281 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: 2 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2581.390029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.390029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.390029 (E_RNA) where: Base-Base interactions energy: -1780.060 where: short stacking energy: -760.296 Base-Backbone interact. energy: -2.157 local terms energy: -799.172346 where: bonds (distance) C4'-P energy: -134.944 bonds (distance) P-C4' energy: -154.203 flat angles C4'-P-C4' energy: -186.599 flat angles P-C4'-P energy: -117.511 tors. eta vs tors. theta energy: -205.916 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: 3 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2448.626543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.626543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.626543 (E_RNA) where: Base-Base interactions energy: -1650.806 where: short stacking energy: -725.547 Base-Backbone interact. energy: 4.191 local terms energy: -802.010842 where: bonds (distance) C4'-P energy: -157.976 bonds (distance) P-C4' energy: -148.158 flat angles C4'-P-C4' energy: -166.497 flat angles P-C4'-P energy: -123.406 tors. eta vs tors. theta energy: -205.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2451.376575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.376575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.376575 (E_RNA) where: Base-Base interactions energy: -1681.019 where: short stacking energy: -731.953 Base-Backbone interact. energy: -3.679 local terms energy: -766.678071 where: bonds (distance) C4'-P energy: -145.429 bonds (distance) P-C4' energy: -153.074 flat angles C4'-P-C4' energy: -166.863 flat angles P-C4'-P energy: -99.539 tors. eta vs tors. theta energy: -201.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1953.837980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.837980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.837980 (E_RNA) where: Base-Base interactions energy: -1282.175 where: short stacking energy: -560.515 Base-Backbone interact. energy: -3.119 local terms energy: -668.543827 where: bonds (distance) C4'-P energy: -141.082 bonds (distance) P-C4' energy: -148.077 flat angles C4'-P-C4' energy: -148.650 flat angles P-C4'-P energy: -114.403 tors. eta vs tors. theta energy: -116.332 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: 6 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1965.585403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.585403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.585403 (E_RNA) where: Base-Base interactions energy: -1288.397 where: short stacking energy: -573.327 Base-Backbone interact. energy: -4.059 local terms energy: -673.130133 where: bonds (distance) C4'-P energy: -150.006 bonds (distance) P-C4' energy: -137.403 flat angles C4'-P-C4' energy: -160.438 flat angles P-C4'-P energy: -79.368 tors. eta vs tors. theta energy: -145.916 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: 4 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1611.740940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.740940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.740940 (E_RNA) where: Base-Base interactions energy: -1049.775 where: short stacking energy: -467.307 Base-Backbone interact. energy: -5.300 local terms energy: -556.666067 where: bonds (distance) C4'-P energy: -122.447 bonds (distance) P-C4' energy: -143.682 flat angles C4'-P-C4' energy: -137.439 flat angles P-C4'-P energy: -71.420 tors. eta vs tors. theta energy: -81.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1438.275130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.275130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.275130 (E_RNA) where: Base-Base interactions energy: -868.269 where: short stacking energy: -395.807 Base-Backbone interact. energy: -1.831 local terms energy: -568.174693 where: bonds (distance) C4'-P energy: -129.752 bonds (distance) P-C4' energy: -153.690 flat angles C4'-P-C4' energy: -140.811 flat angles P-C4'-P energy: -86.079 tors. eta vs tors. theta energy: -57.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1018.033600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.033600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.033600 (E_RNA) where: Base-Base interactions energy: -558.560 where: short stacking energy: -282.691 Base-Backbone interact. energy: 3.295 local terms energy: -462.768086 where: bonds (distance) C4'-P energy: -126.178 bonds (distance) P-C4' energy: -143.699 flat angles C4'-P-C4' energy: -105.257 flat angles P-C4'-P energy: -80.714 tors. eta vs tors. theta energy: -6.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -642.766942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.766942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.766942 (E_RNA) where: Base-Base interactions energy: -252.009 where: short stacking energy: -184.641 Base-Backbone interact. energy: -3.164 local terms energy: -387.594203 where: bonds (distance) C4'-P energy: -124.554 bonds (distance) P-C4' energy: -133.355 flat angles C4'-P-C4' energy: -100.624 flat angles P-C4'-P energy: -75.085 tors. eta vs tors. theta energy: 46.025 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: 1, replica: 1 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2716.075110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.075110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.075110 (E_RNA) where: Base-Base interactions energy: -1844.028 where: short stacking energy: -830.425 Base-Backbone interact. energy: -1.676 local terms energy: -870.371079 where: bonds (distance) C4'-P energy: -149.602 bonds (distance) P-C4' energy: -169.029 flat angles C4'-P-C4' energy: -184.804 flat angles P-C4'-P energy: -122.441 tors. eta vs tors. theta energy: -244.495 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: 258 Temperature: 0.950000 Total energy: -2618.142202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.142202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.142202 (E_RNA) where: Base-Base interactions energy: -1786.618 where: short stacking energy: -774.312 Base-Backbone interact. energy: -0.649 local terms energy: -830.875543 where: bonds (distance) C4'-P energy: -162.488 bonds (distance) P-C4' energy: -162.665 flat angles C4'-P-C4' energy: -181.991 flat angles P-C4'-P energy: -121.485 tors. eta vs tors. theta energy: -202.247 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: 3, replica: 3 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2415.768186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.768186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.768186 (E_RNA) where: Base-Base interactions energy: -1636.650 where: short stacking energy: -713.206 Base-Backbone interact. energy: 3.697 local terms energy: -782.815137 where: bonds (distance) C4'-P energy: -140.846 bonds (distance) P-C4' energy: -153.319 flat angles C4'-P-C4' energy: -175.258 flat angles P-C4'-P energy: -113.973 tors. eta vs tors. theta energy: -199.419 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: 4, replica: 9 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2437.948559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.948559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.948559 (E_RNA) where: Base-Base interactions energy: -1665.987 where: short stacking energy: -697.443 Base-Backbone interact. energy: 2.693 local terms energy: -774.653897 where: bonds (distance) C4'-P energy: -158.232 bonds (distance) P-C4' energy: -146.404 flat angles C4'-P-C4' energy: -168.697 flat angles P-C4'-P energy: -99.113 tors. eta vs tors. theta energy: -202.207 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: 6 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2093.250179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.250179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.250179 (E_RNA) where: Base-Base interactions energy: -1365.079 where: short stacking energy: -634.828 Base-Backbone interact. energy: 2.422 local terms energy: -730.593814 where: bonds (distance) C4'-P energy: -136.663 bonds (distance) P-C4' energy: -166.455 flat angles C4'-P-C4' energy: -161.279 flat angles P-C4'-P energy: -102.519 tors. eta vs tors. theta energy: -163.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1923.486291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.486291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.486291 (E_RNA) where: Base-Base interactions energy: -1243.347 where: short stacking energy: -539.167 Base-Backbone interact. energy: -2.039 local terms energy: -678.100386 where: bonds (distance) C4'-P energy: -152.173 bonds (distance) P-C4' energy: -134.217 flat angles C4'-P-C4' energy: -163.105 flat angles P-C4'-P energy: -108.138 tors. eta vs tors. theta energy: -120.467 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: 4 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1623.060551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.060551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.060551 (E_RNA) where: Base-Base interactions energy: -1014.667 where: short stacking energy: -458.801 Base-Backbone interact. energy: -2.829 local terms energy: -605.564149 where: bonds (distance) C4'-P energy: -134.529 bonds (distance) P-C4' energy: -120.335 flat angles C4'-P-C4' energy: -140.973 flat angles P-C4'-P energy: -89.090 tors. eta vs tors. theta energy: -120.637 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: 8, replica: 8 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1384.384557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.384557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.384557 (E_RNA) where: Base-Base interactions energy: -830.778 where: short stacking energy: -398.150 Base-Backbone interact. energy: -1.043 local terms energy: -552.563760 where: bonds (distance) C4'-P energy: -118.007 bonds (distance) P-C4' energy: -141.344 flat angles C4'-P-C4' energy: -135.176 flat angles P-C4'-P energy: -81.571 tors. eta vs tors. theta energy: -76.466 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: 7 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1070.641906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.641906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.641906 (E_RNA) where: Base-Base interactions energy: -592.101 where: short stacking energy: -319.853 Base-Backbone interact. energy: -0.440 local terms energy: -478.100827 where: bonds (distance) C4'-P energy: -133.310 bonds (distance) P-C4' energy: -141.884 flat angles C4'-P-C4' energy: -96.577 flat angles P-C4'-P energy: -58.131 tors. eta vs tors. theta energy: -48.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -658.215683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.215683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.215683 (E_RNA) where: Base-Base interactions energy: -251.882 where: short stacking energy: -187.039 Base-Backbone interact. energy: 1.969 local terms energy: -408.301932 where: bonds (distance) C4'-P energy: -139.249 bonds (distance) P-C4' energy: -117.660 flat angles C4'-P-C4' energy: -127.667 flat angles P-C4'-P energy: -54.367 tors. eta vs tors. theta energy: 30.641 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: 1 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2689.869937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.869937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.869937 (E_RNA) where: Base-Base interactions energy: -1790.029 where: short stacking energy: -803.515 Base-Backbone interact. energy: -1.956 local terms energy: -897.885333 where: bonds (distance) C4'-P energy: -160.306 bonds (distance) P-C4' energy: -166.583 flat angles C4'-P-C4' energy: -185.032 flat angles P-C4'-P energy: -142.103 tors. eta vs tors. theta energy: -243.862 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: 2 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2579.804941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.804941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.804941 (E_RNA) where: Base-Base interactions energy: -1772.689 where: short stacking energy: -774.303 Base-Backbone interact. energy: -0.120 local terms energy: -806.996365 where: bonds (distance) C4'-P energy: -145.914 bonds (distance) P-C4' energy: -158.204 flat angles C4'-P-C4' energy: -176.029 flat angles P-C4'-P energy: -118.744 tors. eta vs tors. theta energy: -208.105 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: 3 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2390.395046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.395046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.395046 (E_RNA) where: Base-Base interactions energy: -1607.116 where: short stacking energy: -693.974 Base-Backbone interact. energy: -5.665 local terms energy: -777.614739 where: bonds (distance) C4'-P energy: -168.594 bonds (distance) P-C4' energy: -141.769 flat angles C4'-P-C4' energy: -160.046 flat angles P-C4'-P energy: -104.965 tors. eta vs tors. theta energy: -202.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2446.971555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.971555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.971555 (E_RNA) where: Base-Base interactions energy: -1671.654 where: short stacking energy: -732.712 Base-Backbone interact. energy: -4.315 local terms energy: -771.001901 where: bonds (distance) C4'-P energy: -129.953 bonds (distance) P-C4' energy: -149.192 flat angles C4'-P-C4' energy: -171.935 flat angles P-C4'-P energy: -108.293 tors. eta vs tors. theta energy: -211.629 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: 6 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2092.876077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.876077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.876077 (E_RNA) where: Base-Base interactions energy: -1366.415 where: short stacking energy: -616.704 Base-Backbone interact. energy: -1.764 local terms energy: -724.696886 where: bonds (distance) C4'-P energy: -137.596 bonds (distance) P-C4' energy: -146.425 flat angles C4'-P-C4' energy: -169.484 flat angles P-C4'-P energy: -99.157 tors. eta vs tors. theta energy: -172.035 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: 259 Temperature: 1.150000 Total energy: -1901.036151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.036151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.036151 (E_RNA) where: Base-Base interactions energy: -1255.444 where: short stacking energy: -550.040 Base-Backbone interact. energy: -1.926 local terms energy: -643.666898 where: bonds (distance) C4'-P energy: -138.588 bonds (distance) P-C4' energy: -151.547 flat angles C4'-P-C4' energy: -151.443 flat angles P-C4'-P energy: -72.445 tors. eta vs tors. theta energy: -129.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1644.179807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.179807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.179807 (E_RNA) where: Base-Base interactions energy: -1044.978 where: short stacking energy: -491.786 Base-Backbone interact. energy: -0.567 local terms energy: -598.634803 where: bonds (distance) C4'-P energy: -145.125 bonds (distance) P-C4' energy: -151.333 flat angles C4'-P-C4' energy: -132.208 flat angles P-C4'-P energy: -75.781 tors. eta vs tors. theta energy: -94.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1361.323734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.323734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.323734 (E_RNA) where: Base-Base interactions energy: -823.508 where: short stacking energy: -382.232 Base-Backbone interact. energy: -2.025 local terms energy: -535.790431 where: bonds (distance) C4'-P energy: -133.419 bonds (distance) P-C4' energy: -134.200 flat angles C4'-P-C4' energy: -126.426 flat angles P-C4'-P energy: -87.687 tors. eta vs tors. theta energy: -54.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -988.091106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.091106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.091106 (E_RNA) where: Base-Base interactions energy: -532.310 where: short stacking energy: -274.182 Base-Backbone interact. energy: 6.410 local terms energy: -462.191726 where: bonds (distance) C4'-P energy: -145.848 bonds (distance) P-C4' energy: -123.334 flat angles C4'-P-C4' energy: -125.414 flat angles P-C4'-P energy: -60.312 tors. eta vs tors. theta energy: -7.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -579.537056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.537056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.537056 (E_RNA) where: Base-Base interactions energy: -164.308 where: short stacking energy: -120.473 Base-Backbone interact. energy: -1.942 local terms energy: -413.287283 where: bonds (distance) C4'-P energy: -133.155 bonds (distance) P-C4' energy: -131.995 flat angles C4'-P-C4' energy: -119.877 flat angles P-C4'-P energy: -85.581 tors. eta vs tors. theta energy: 57.321 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: 1 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2723.968247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.968247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.968247 (E_RNA) where: Base-Base interactions energy: -1842.583 where: short stacking energy: -827.323 Base-Backbone interact. energy: -5.108 local terms energy: -876.277840 where: bonds (distance) C4'-P energy: -167.744 bonds (distance) P-C4' energy: -156.770 flat angles C4'-P-C4' energy: -183.971 flat angles P-C4'-P energy: -122.581 tors. eta vs tors. theta energy: -245.212 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: 2, replica: 2 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2566.836073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.836073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.836073 (E_RNA) where: Base-Base interactions energy: -1756.166 where: short stacking energy: -791.467 Base-Backbone interact. energy: -2.924 local terms energy: -807.745928 where: bonds (distance) C4'-P energy: -161.126 bonds (distance) P-C4' energy: -136.440 flat angles C4'-P-C4' energy: -188.431 flat angles P-C4'-P energy: -111.535 tors. eta vs tors. theta energy: -210.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2428.553865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.553865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.553865 (E_RNA) where: Base-Base interactions energy: -1634.527 where: short stacking energy: -727.747 Base-Backbone interact. energy: -3.853 local terms energy: -790.174780 where: bonds (distance) C4'-P energy: -139.124 bonds (distance) P-C4' energy: -151.557 flat angles C4'-P-C4' energy: -181.934 flat angles P-C4'-P energy: -123.922 tors. eta vs tors. theta energy: -193.637 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: 9 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2352.618743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.618743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.618743 (E_RNA) where: Base-Base interactions energy: -1617.862 where: short stacking energy: -675.222 Base-Backbone interact. energy: -1.263 local terms energy: -733.493854 where: bonds (distance) C4'-P energy: -129.818 bonds (distance) P-C4' energy: -155.368 flat angles C4'-P-C4' energy: -162.361 flat angles P-C4'-P energy: -98.439 tors. eta vs tors. theta energy: -187.508 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: 6 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2151.235655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.235655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.235655 (E_RNA) where: Base-Base interactions energy: -1387.471 where: short stacking energy: -616.469 Base-Backbone interact. energy: -1.211 local terms energy: -762.554035 where: bonds (distance) C4'-P energy: -157.736 bonds (distance) P-C4' energy: -165.857 flat angles C4'-P-C4' energy: -174.754 flat angles P-C4'-P energy: -92.267 tors. eta vs tors. theta energy: -171.940 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: 5 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1921.161214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.161214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.161214 (E_RNA) where: Base-Base interactions energy: -1256.364 where: short stacking energy: -588.381 Base-Backbone interact. energy: -0.943 local terms energy: -663.853691 where: bonds (distance) C4'-P energy: -125.003 bonds (distance) P-C4' energy: -143.685 flat angles C4'-P-C4' energy: -144.161 flat angles P-C4'-P energy: -108.197 tors. eta vs tors. theta energy: -142.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1650.943728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.943728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.943728 (E_RNA) where: Base-Base interactions energy: -1083.453 where: short stacking energy: -475.645 Base-Backbone interact. energy: 1.692 local terms energy: -569.182667 where: bonds (distance) C4'-P energy: -119.919 bonds (distance) P-C4' energy: -131.784 flat angles C4'-P-C4' energy: -138.808 flat angles P-C4'-P energy: -80.078 tors. eta vs tors. theta energy: -98.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1296.564761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.564761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.564761 (E_RNA) where: Base-Base interactions energy: -791.767 where: short stacking energy: -371.881 Base-Backbone interact. energy: -6.016 local terms energy: -498.782161 where: bonds (distance) C4'-P energy: -122.074 bonds (distance) P-C4' energy: -128.586 flat angles C4'-P-C4' energy: -141.968 flat angles P-C4'-P energy: -67.909 tors. eta vs tors. theta energy: -38.245 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: 7 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -895.854656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.854656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.854656 (E_RNA) where: Base-Base interactions energy: -447.812 where: short stacking energy: -236.591 Base-Backbone interact. energy: 11.776 local terms energy: -459.819073 where: bonds (distance) C4'-P energy: -151.286 bonds (distance) P-C4' energy: -127.031 flat angles C4'-P-C4' energy: -119.847 flat angles P-C4'-P energy: -74.588 tors. eta vs tors. theta energy: 12.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -649.228134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.228134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.228134 (E_RNA) where: Base-Base interactions energy: -266.101 where: short stacking energy: -180.168 Base-Backbone interact. energy: 4.026 local terms energy: -387.152681 where: bonds (distance) C4'-P energy: -105.623 bonds (distance) P-C4' energy: -144.458 flat angles C4'-P-C4' energy: -124.344 flat angles P-C4'-P energy: -45.255 tors. eta vs tors. theta energy: 32.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2735.745742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.745742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.745742 (E_RNA) where: Base-Base interactions energy: -1849.988 where: short stacking energy: -805.759 Base-Backbone interact. energy: -3.042 local terms energy: -882.715179 where: bonds (distance) C4'-P energy: -165.893 bonds (distance) P-C4' energy: -161.796 flat angles C4'-P-C4' energy: -186.022 flat angles P-C4'-P energy: -125.682 tors. eta vs tors. theta energy: -243.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2573.012977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.012977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.012977 (E_RNA) where: Base-Base interactions energy: -1782.039 where: short stacking energy: -739.036 Base-Backbone interact. energy: -1.932 local terms energy: -789.041417 where: bonds (distance) C4'-P energy: -155.062 bonds (distance) P-C4' energy: -170.578 flat angles C4'-P-C4' energy: -173.169 flat angles P-C4'-P energy: -99.308 tors. eta vs tors. theta energy: -190.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2387.711434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.711434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.711434 (E_RNA) where: Base-Base interactions energy: -1602.778 where: short stacking energy: -706.371 Base-Backbone interact. energy: -3.514 local terms energy: -781.418921 where: bonds (distance) C4'-P energy: -140.737 bonds (distance) P-C4' energy: -155.244 flat angles C4'-P-C4' energy: -170.675 flat angles P-C4'-P energy: -119.617 tors. eta vs tors. theta energy: -195.146 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: 4, replica: 9 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2350.638295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.638295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.638295 (E_RNA) where: Base-Base interactions energy: -1599.073 where: short stacking energy: -689.995 Base-Backbone interact. energy: 7.465 local terms energy: -759.030754 where: bonds (distance) C4'-P energy: -141.967 bonds (distance) P-C4' energy: -145.557 flat angles C4'-P-C4' energy: -183.589 flat angles P-C4'-P energy: -95.914 tors. eta vs tors. theta energy: -192.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2080.965746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.965746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.965746 (E_RNA) where: Base-Base interactions energy: -1374.249 where: short stacking energy: -636.262 Base-Backbone interact. energy: -6.684 local terms energy: -700.032897 where: bonds (distance) C4'-P energy: -134.975 bonds (distance) P-C4' energy: -150.275 flat angles C4'-P-C4' energy: -149.199 flat angles P-C4'-P energy: -97.813 tors. eta vs tors. theta energy: -167.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1911.179287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.179287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.179287 (E_RNA) where: Base-Base interactions energy: -1274.271 where: short stacking energy: -575.486 Base-Backbone interact. energy: 3.510 local terms energy: -640.418809 where: bonds (distance) C4'-P energy: -131.927 bonds (distance) P-C4' energy: -128.698 flat angles C4'-P-C4' energy: -151.576 flat angles P-C4'-P energy: -91.006 tors. eta vs tors. theta energy: -137.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1643.449768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.449768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.449768 (E_RNA) where: Base-Base interactions energy: -1061.259 where: short stacking energy: -503.328 Base-Backbone interact. energy: -2.291 local terms energy: -579.899907 where: bonds (distance) C4'-P energy: -109.215 bonds (distance) P-C4' energy: -136.039 flat angles C4'-P-C4' energy: -152.881 flat angles P-C4'-P energy: -95.026 tors. eta vs tors. theta energy: -86.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1366.658649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.658649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.658649 (E_RNA) where: Base-Base interactions energy: -798.533 where: short stacking energy: -380.473 Base-Backbone interact. energy: -0.526 local terms energy: -567.599368 where: bonds (distance) C4'-P energy: -158.114 bonds (distance) P-C4' energy: -141.715 flat angles C4'-P-C4' energy: -140.309 flat angles P-C4'-P energy: -76.809 tors. eta vs tors. theta energy: -50.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -978.028281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.028281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.028281 (E_RNA) where: Base-Base interactions energy: -490.209 where: short stacking energy: -287.698 Base-Backbone interact. energy: 4.461 local terms energy: -492.279888 where: bonds (distance) C4'-P energy: -124.143 bonds (distance) P-C4' energy: -150.476 flat angles C4'-P-C4' energy: -116.668 flat angles P-C4'-P energy: -73.385 tors. eta vs tors. theta energy: -27.608 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: 10 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -640.115742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.115742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.115742 (E_RNA) where: Base-Base interactions energy: -225.560 where: short stacking energy: -184.111 Base-Backbone interact. energy: -1.046 local terms energy: -413.509560 where: bonds (distance) C4'-P energy: -129.125 bonds (distance) P-C4' energy: -130.013 flat angles C4'-P-C4' energy: -115.491 flat angles P-C4'-P energy: -74.418 tors. eta vs tors. theta energy: 35.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2704.755861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.755861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.755861 (E_RNA) where: Base-Base interactions energy: -1807.532 where: short stacking energy: -803.977 Base-Backbone interact. energy: -3.163 local terms energy: -894.060407 where: bonds (distance) C4'-P energy: -157.627 bonds (distance) P-C4' energy: -180.042 flat angles C4'-P-C4' energy: -186.930 flat angles P-C4'-P energy: -127.202 tors. eta vs tors. theta energy: -242.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2614.719104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.719104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.719104 (E_RNA) where: Base-Base interactions energy: -1800.419 where: short stacking energy: -757.134 Base-Backbone interact. energy: -2.748 local terms energy: -811.551809 where: bonds (distance) C4'-P energy: -149.844 bonds (distance) P-C4' energy: -160.653 flat angles C4'-P-C4' energy: -186.058 flat angles P-C4'-P energy: -117.061 tors. eta vs tors. theta energy: -197.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2439.405648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.405648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.405648 (E_RNA) where: Base-Base interactions energy: -1653.427 where: short stacking energy: -737.480 Base-Backbone interact. energy: -6.319 local terms energy: -779.659641 where: bonds (distance) C4'-P energy: -139.423 bonds (distance) P-C4' energy: -151.368 flat angles C4'-P-C4' energy: -173.200 flat angles P-C4'-P energy: -106.854 tors. eta vs tors. theta energy: -208.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2379.540706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.540706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.540706 (E_RNA) where: Base-Base interactions energy: -1641.337 where: short stacking energy: -705.441 Base-Backbone interact. energy: -1.690 local terms energy: -736.513963 where: bonds (distance) C4'-P energy: -126.953 bonds (distance) P-C4' energy: -151.721 flat angles C4'-P-C4' energy: -163.633 flat angles P-C4'-P energy: -102.244 tors. eta vs tors. theta energy: -191.964 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: 6 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2069.120408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.120408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.120408 (E_RNA) where: Base-Base interactions energy: -1382.621 where: short stacking energy: -619.916 Base-Backbone interact. energy: -0.921 local terms energy: -685.578385 where: bonds (distance) C4'-P energy: -132.905 bonds (distance) P-C4' energy: -148.471 flat angles C4'-P-C4' energy: -154.412 flat angles P-C4'-P energy: -93.509 tors. eta vs tors. theta energy: -156.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1929.608244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.608244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.608244 (E_RNA) where: Base-Base interactions energy: -1274.149 where: short stacking energy: -566.088 Base-Backbone interact. energy: 0.197 local terms energy: -655.656252 where: bonds (distance) C4'-P energy: -124.200 bonds (distance) P-C4' energy: -145.441 flat angles C4'-P-C4' energy: -156.906 flat angles P-C4'-P energy: -100.172 tors. eta vs tors. theta energy: -128.937 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: 4 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1665.793090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.793090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.793090 (E_RNA) where: Base-Base interactions energy: -1049.412 where: short stacking energy: -497.646 Base-Backbone interact. energy: -1.899 local terms energy: -614.482242 where: bonds (distance) C4'-P energy: -135.202 bonds (distance) P-C4' energy: -140.260 flat angles C4'-P-C4' energy: -135.883 flat angles P-C4'-P energy: -102.466 tors. eta vs tors. theta energy: -100.672 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: 262 Temperature: 1.250000 Total energy: -1319.355084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.355084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.355084 (E_RNA) where: Base-Base interactions energy: -813.355 where: short stacking energy: -392.478 Base-Backbone interact. energy: 0.137 local terms energy: -506.137008 where: bonds (distance) C4'-P energy: -111.926 bonds (distance) P-C4' energy: -129.792 flat angles C4'-P-C4' energy: -135.256 flat angles P-C4'-P energy: -74.028 tors. eta vs tors. theta energy: -55.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1046.992741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.992741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.992741 (E_RNA) where: Base-Base interactions energy: -592.740 where: short stacking energy: -305.377 Base-Backbone interact. energy: -0.500 local terms energy: -453.752567 where: bonds (distance) C4'-P energy: -116.074 bonds (distance) P-C4' energy: -140.964 flat angles C4'-P-C4' energy: -108.384 flat angles P-C4'-P energy: -76.381 tors. eta vs tors. theta energy: -11.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -631.671290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.671290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.671290 (E_RNA) where: Base-Base interactions energy: -211.411 where: short stacking energy: -176.074 Base-Backbone interact. energy: -0.451 local terms energy: -419.809764 where: bonds (distance) C4'-P energy: -130.414 bonds (distance) P-C4' energy: -124.781 flat angles C4'-P-C4' energy: -126.038 flat angles P-C4'-P energy: -51.139 tors. eta vs tors. theta energy: 12.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2716.405472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.405472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.405472 (E_RNA) where: Base-Base interactions energy: -1862.716 where: short stacking energy: -830.795 Base-Backbone interact. energy: 0.721 local terms energy: -854.410755 where: bonds (distance) C4'-P energy: -151.613 bonds (distance) P-C4' energy: -151.384 flat angles C4'-P-C4' energy: -185.325 flat angles P-C4'-P energy: -128.202 tors. eta vs tors. theta energy: -237.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2633.635686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.635686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.635686 (E_RNA) where: Base-Base interactions energy: -1833.904 where: short stacking energy: -775.700 Base-Backbone interact. energy: -0.882 local terms energy: -798.850253 where: bonds (distance) C4'-P energy: -136.597 bonds (distance) P-C4' energy: -156.523 flat angles C4'-P-C4' energy: -183.672 flat angles P-C4'-P energy: -114.239 tors. eta vs tors. theta energy: -207.819 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: 3, replica: 3 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2346.349295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.349295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.349295 (E_RNA) where: Base-Base interactions energy: -1567.498 where: short stacking energy: -712.804 Base-Backbone interact. energy: 0.320 local terms energy: -779.171481 where: bonds (distance) C4'-P energy: -151.609 bonds (distance) P-C4' energy: -137.403 flat angles C4'-P-C4' energy: -180.647 flat angles P-C4'-P energy: -124.487 tors. eta vs tors. theta energy: -185.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2381.337092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.337092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.337092 (E_RNA) where: Base-Base interactions energy: -1610.779 where: short stacking energy: -689.688 Base-Backbone interact. energy: -2.657 local terms energy: -767.900868 where: bonds (distance) C4'-P energy: -150.096 bonds (distance) P-C4' energy: -138.977 flat angles C4'-P-C4' energy: -168.741 flat angles P-C4'-P energy: -120.774 tors. eta vs tors. theta energy: -189.313 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: 6 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2075.767655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.767655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.767655 (E_RNA) where: Base-Base interactions energy: -1367.862 where: short stacking energy: -615.929 Base-Backbone interact. energy: -6.724 local terms energy: -701.181548 where: bonds (distance) C4'-P energy: -131.603 bonds (distance) P-C4' energy: -144.490 flat angles C4'-P-C4' energy: -159.321 flat angles P-C4'-P energy: -94.394 tors. eta vs tors. theta energy: -171.373 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: 263 Temperature: 1.150000 Total energy: -1890.929819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.929819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.929819 (E_RNA) where: Base-Base interactions energy: -1251.549 where: short stacking energy: -519.132 Base-Backbone interact. energy: -1.721 local terms energy: -637.659952 where: bonds (distance) C4'-P energy: -148.332 bonds (distance) P-C4' energy: -129.261 flat angles C4'-P-C4' energy: -136.778 flat angles P-C4'-P energy: -118.675 tors. eta vs tors. theta energy: -104.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1632.151780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.151780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.151780 (E_RNA) where: Base-Base interactions energy: -1041.664 where: short stacking energy: -486.609 Base-Backbone interact. energy: -3.157 local terms energy: -587.330883 where: bonds (distance) C4'-P energy: -148.543 bonds (distance) P-C4' energy: -124.991 flat angles C4'-P-C4' energy: -131.817 flat angles P-C4'-P energy: -82.317 tors. eta vs tors. theta energy: -99.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1319.356339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.356339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.356339 (E_RNA) where: Base-Base interactions energy: -757.625 where: short stacking energy: -363.718 Base-Backbone interact. energy: -2.016 local terms energy: -559.715240 where: bonds (distance) C4'-P energy: -141.518 bonds (distance) P-C4' energy: -141.863 flat angles C4'-P-C4' energy: -131.959 flat angles P-C4'-P energy: -107.518 tors. eta vs tors. theta energy: -36.857 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: 7 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -990.402830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.402830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.402830 (E_RNA) where: Base-Base interactions energy: -544.746 where: short stacking energy: -281.673 Base-Backbone interact. energy: -1.363 local terms energy: -444.293884 where: bonds (distance) C4'-P energy: -112.814 bonds (distance) P-C4' energy: -139.918 flat angles C4'-P-C4' energy: -116.744 flat angles P-C4'-P energy: -69.221 tors. eta vs tors. theta energy: -5.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -654.834549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.834549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.834549 (E_RNA) where: Base-Base interactions energy: -229.371 where: short stacking energy: -166.056 Base-Backbone interact. energy: 0.568 local terms energy: -426.030929 where: bonds (distance) C4'-P energy: -126.275 bonds (distance) P-C4' energy: -147.942 flat angles C4'-P-C4' energy: -100.135 flat angles P-C4'-P energy: -80.818 tors. eta vs tors. theta energy: 29.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2688.787437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.787437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.787437 (E_RNA) where: Base-Base interactions energy: -1828.980 where: short stacking energy: -812.624 Base-Backbone interact. energy: -1.969 local terms energy: -857.839024 where: bonds (distance) C4'-P energy: -154.442 bonds (distance) P-C4' energy: -153.209 flat angles C4'-P-C4' energy: -175.503 flat angles P-C4'-P energy: -132.685 tors. eta vs tors. theta energy: -242.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2595.606768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.606768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.606768 (E_RNA) where: Base-Base interactions energy: -1780.100 where: short stacking energy: -753.974 Base-Backbone interact. energy: -2.695 local terms energy: -812.811918 where: bonds (distance) C4'-P energy: -151.353 bonds (distance) P-C4' energy: -160.622 flat angles C4'-P-C4' energy: -174.894 flat angles P-C4'-P energy: -121.958 tors. eta vs tors. theta energy: -203.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2375.473434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.473434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.473434 (E_RNA) where: Base-Base interactions energy: -1580.352 where: short stacking energy: -702.137 Base-Backbone interact. energy: 2.634 local terms energy: -797.755359 where: bonds (distance) C4'-P energy: -147.005 bonds (distance) P-C4' energy: -156.654 flat angles C4'-P-C4' energy: -163.415 flat angles P-C4'-P energy: -125.685 tors. eta vs tors. theta energy: -204.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2355.712258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.712258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.712258 (E_RNA) where: Base-Base interactions energy: -1619.188 where: short stacking energy: -684.334 Base-Backbone interact. energy: 2.098 local terms energy: -738.622003 where: bonds (distance) C4'-P energy: -149.549 bonds (distance) P-C4' energy: -158.706 flat angles C4'-P-C4' energy: -172.022 flat angles P-C4'-P energy: -86.723 tors. eta vs tors. theta energy: -171.621 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: 5, replica: 6 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2079.330137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.330137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.330137 (E_RNA) where: Base-Base interactions energy: -1371.918 where: short stacking energy: -613.160 Base-Backbone interact. energy: -3.844 local terms energy: -703.568578 where: bonds (distance) C4'-P energy: -132.491 bonds (distance) P-C4' energy: -164.521 flat angles C4'-P-C4' energy: -150.370 flat angles P-C4'-P energy: -88.693 tors. eta vs tors. theta energy: -167.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1931.206062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.206062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.206062 (E_RNA) where: Base-Base interactions energy: -1268.267 where: short stacking energy: -558.247 Base-Backbone interact. energy: -2.784 local terms energy: -660.155059 where: bonds (distance) C4'-P energy: -149.434 bonds (distance) P-C4' energy: -136.716 flat angles C4'-P-C4' energy: -149.456 flat angles P-C4'-P energy: -106.123 tors. eta vs tors. theta energy: -118.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1706.777269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.777269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.777269 (E_RNA) where: Base-Base interactions energy: -1084.124 where: short stacking energy: -497.225 Base-Backbone interact. energy: 8.557 local terms energy: -631.210467 where: bonds (distance) C4'-P energy: -145.454 bonds (distance) P-C4' energy: -154.982 flat angles C4'-P-C4' energy: -149.977 flat angles P-C4'-P energy: -74.423 tors. eta vs tors. theta energy: -106.375 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: 8 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1269.700190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.700190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.700190 (E_RNA) where: Base-Base interactions energy: -747.815 where: short stacking energy: -373.064 Base-Backbone interact. energy: 3.541 local terms energy: -525.425877 where: bonds (distance) C4'-P energy: -143.874 bonds (distance) P-C4' energy: -151.426 flat angles C4'-P-C4' energy: -120.818 flat angles P-C4'-P energy: -63.780 tors. eta vs tors. theta energy: -45.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -972.644229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.644229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.644229 (E_RNA) where: Base-Base interactions energy: -506.402 where: short stacking energy: -273.698 Base-Backbone interact. energy: -1.026 local terms energy: -465.215891 where: bonds (distance) C4'-P energy: -131.164 bonds (distance) P-C4' energy: -144.510 flat angles C4'-P-C4' energy: -115.589 flat angles P-C4'-P energy: -65.231 tors. eta vs tors. theta energy: -8.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -605.588784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.588784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.588784 (E_RNA) where: Base-Base interactions energy: -198.766 where: short stacking energy: -173.746 Base-Backbone interact. energy: 2.191 local terms energy: -409.013720 where: bonds (distance) C4'-P energy: -123.435 bonds (distance) P-C4' energy: -140.352 flat angles C4'-P-C4' energy: -109.566 flat angles P-C4'-P energy: -62.090 tors. eta vs tors. theta energy: 26.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2698.228709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.228709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.228709 (E_RNA) where: Base-Base interactions energy: -1809.481 where: short stacking energy: -802.806 Base-Backbone interact. energy: -0.872 local terms energy: -887.876198 where: bonds (distance) C4'-P energy: -169.784 bonds (distance) P-C4' energy: -173.148 flat angles C4'-P-C4' energy: -182.205 flat angles P-C4'-P energy: -123.900 tors. eta vs tors. theta energy: -238.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2581.879989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.879989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.879989 (E_RNA) where: Base-Base interactions energy: -1760.501 where: short stacking energy: -747.151 Base-Backbone interact. energy: -3.082 local terms energy: -818.296784 where: bonds (distance) C4'-P energy: -157.613 bonds (distance) P-C4' energy: -158.464 flat angles C4'-P-C4' energy: -172.395 flat angles P-C4'-P energy: -122.525 tors. eta vs tors. theta energy: -207.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2388.502115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.502115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.502115 (E_RNA) where: Base-Base interactions energy: -1597.449 where: short stacking energy: -754.508 Base-Backbone interact. energy: 0.028 local terms energy: -791.080817 where: bonds (distance) C4'-P energy: -146.974 bonds (distance) P-C4' energy: -154.053 flat angles C4'-P-C4' energy: -181.882 flat angles P-C4'-P energy: -105.311 tors. eta vs tors. theta energy: -202.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2365.794321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.794321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.794321 (E_RNA) where: Base-Base interactions energy: -1621.688 where: short stacking energy: -688.951 Base-Backbone interact. energy: 9.117 local terms energy: -753.223118 where: bonds (distance) C4'-P energy: -148.162 bonds (distance) P-C4' energy: -154.851 flat angles C4'-P-C4' energy: -162.546 flat angles P-C4'-P energy: -107.581 tors. eta vs tors. theta energy: -180.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2150.713806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.713806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.713806 (E_RNA) where: Base-Base interactions energy: -1436.261 where: short stacking energy: -652.598 Base-Backbone interact. energy: 3.649 local terms energy: -718.101798 where: bonds (distance) C4'-P energy: -136.417 bonds (distance) P-C4' energy: -142.119 flat angles C4'-P-C4' energy: -162.158 flat angles P-C4'-P energy: -102.178 tors. eta vs tors. theta energy: -175.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1934.386690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.386690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.386690 (E_RNA) where: Base-Base interactions energy: -1269.249 where: short stacking energy: -563.523 Base-Backbone interact. energy: 1.299 local terms energy: -666.436367 where: bonds (distance) C4'-P energy: -152.134 bonds (distance) P-C4' energy: -139.237 flat angles C4'-P-C4' energy: -163.992 flat angles P-C4'-P energy: -92.650 tors. eta vs tors. theta energy: -118.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1736.545233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.545233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.545233 (E_RNA) where: Base-Base interactions energy: -1110.508 where: short stacking energy: -519.819 Base-Backbone interact. energy: -0.744 local terms energy: -625.293147 where: bonds (distance) C4'-P energy: -127.481 bonds (distance) P-C4' energy: -141.076 flat angles C4'-P-C4' energy: -163.894 flat angles P-C4'-P energy: -86.734 tors. eta vs tors. theta energy: -106.108 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: 8 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1198.480656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.480656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.480656 (E_RNA) where: Base-Base interactions energy: -697.628 where: short stacking energy: -350.461 Base-Backbone interact. energy: -2.145 local terms energy: -498.707402 where: bonds (distance) C4'-P energy: -131.097 bonds (distance) P-C4' energy: -129.372 flat angles C4'-P-C4' energy: -129.801 flat angles P-C4'-P energy: -62.118 tors. eta vs tors. theta energy: -46.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -950.605692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.605692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.605692 (E_RNA) where: Base-Base interactions energy: -494.839 where: short stacking energy: -303.761 Base-Backbone interact. energy: 6.944 local terms energy: -462.710802 where: bonds (distance) C4'-P energy: -119.582 bonds (distance) P-C4' energy: -134.562 flat angles C4'-P-C4' energy: -112.755 flat angles P-C4'-P energy: -83.775 tors. eta vs tors. theta energy: -12.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -604.298655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.298655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.298655 (E_RNA) where: Base-Base interactions energy: -211.611 where: short stacking energy: -183.838 Base-Backbone interact. energy: -3.319 local terms energy: -389.368567 where: bonds (distance) C4'-P energy: -126.912 bonds (distance) P-C4' energy: -117.189 flat angles C4'-P-C4' energy: -111.320 flat angles P-C4'-P energy: -55.567 tors. eta vs tors. theta energy: 21.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2701.353101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.353101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.353101 (E_RNA) where: Base-Base interactions energy: -1838.588 where: short stacking energy: -840.460 Base-Backbone interact. energy: -2.573 local terms energy: -860.192138 where: bonds (distance) C4'-P energy: -152.313 bonds (distance) P-C4' energy: -155.741 flat angles C4'-P-C4' energy: -188.981 flat angles P-C4'-P energy: -121.720 tors. eta vs tors. theta energy: -241.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2579.903178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.903178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.903178 (E_RNA) where: Base-Base interactions energy: -1773.681 where: short stacking energy: -736.457 Base-Backbone interact. energy: 0.194 local terms energy: -806.415800 where: bonds (distance) C4'-P energy: -154.290 bonds (distance) P-C4' energy: -168.618 flat angles C4'-P-C4' energy: -168.195 flat angles P-C4'-P energy: -117.098 tors. eta vs tors. theta energy: -198.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2421.816266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.816266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.816266 (E_RNA) where: Base-Base interactions energy: -1633.614 where: short stacking energy: -714.285 Base-Backbone interact. energy: -0.301 local terms energy: -787.900532 where: bonds (distance) C4'-P energy: -152.265 bonds (distance) P-C4' energy: -144.075 flat angles C4'-P-C4' energy: -176.889 flat angles P-C4'-P energy: -110.077 tors. eta vs tors. theta energy: -204.594 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: 9 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2372.981520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.981520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.981520 (E_RNA) where: Base-Base interactions energy: -1639.733 where: short stacking energy: -693.251 Base-Backbone interact. energy: 2.475 local terms energy: -735.723458 where: bonds (distance) C4'-P energy: -156.932 bonds (distance) P-C4' energy: -138.330 flat angles C4'-P-C4' energy: -154.381 flat angles P-C4'-P energy: -116.915 tors. eta vs tors. theta energy: -169.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2029.825490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.825490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.825490 (E_RNA) where: Base-Base interactions energy: -1343.042 where: short stacking energy: -623.257 Base-Backbone interact. energy: -7.216 local terms energy: -679.568010 where: bonds (distance) C4'-P energy: -130.740 bonds (distance) P-C4' energy: -144.496 flat angles C4'-P-C4' energy: -165.522 flat angles P-C4'-P energy: -81.779 tors. eta vs tors. theta energy: -157.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1882.298690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.298690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.298690 (E_RNA) where: Base-Base interactions energy: -1268.299 where: short stacking energy: -536.812 Base-Backbone interact. energy: 0.969 local terms energy: -614.968250 where: bonds (distance) C4'-P energy: -131.296 bonds (distance) P-C4' energy: -128.171 flat angles C4'-P-C4' energy: -163.760 flat angles P-C4'-P energy: -80.983 tors. eta vs tors. theta energy: -110.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1773.275265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.275265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.275265 (E_RNA) where: Base-Base interactions energy: -1155.098 where: short stacking energy: -505.062 Base-Backbone interact. energy: 0.253 local terms energy: -618.429921 where: bonds (distance) C4'-P energy: -141.832 bonds (distance) P-C4' energy: -134.421 flat angles C4'-P-C4' energy: -143.705 flat angles P-C4'-P energy: -90.738 tors. eta vs tors. theta energy: -107.734 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: 8 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1172.517481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.517481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.517481 (E_RNA) where: Base-Base interactions energy: -645.805 where: short stacking energy: -336.238 Base-Backbone interact. energy: -1.946 local terms energy: -524.766562 where: bonds (distance) C4'-P energy: -126.917 bonds (distance) P-C4' energy: -156.246 flat angles C4'-P-C4' energy: -144.555 flat angles P-C4'-P energy: -77.870 tors. eta vs tors. theta energy: -19.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -950.950527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.950527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.950527 (E_RNA) where: Base-Base interactions energy: -483.713 where: short stacking energy: -269.167 Base-Backbone interact. energy: 4.385 local terms energy: -471.623388 where: bonds (distance) C4'-P energy: -121.106 bonds (distance) P-C4' energy: -155.690 flat angles C4'-P-C4' energy: -131.836 flat angles P-C4'-P energy: -60.172 tors. eta vs tors. theta energy: -2.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -646.209206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.209206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.209206 (E_RNA) where: Base-Base interactions energy: -230.797 where: short stacking energy: -190.107 Base-Backbone interact. energy: 4.444 local terms energy: -419.855710 where: bonds (distance) C4'-P energy: -122.780 bonds (distance) P-C4' energy: -133.809 flat angles C4'-P-C4' energy: -127.113 flat angles P-C4'-P energy: -59.534 tors. eta vs tors. theta energy: 23.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2688.017322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.017322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.017322 (E_RNA) where: Base-Base interactions energy: -1815.744 where: short stacking energy: -826.574 Base-Backbone interact. energy: -1.046 local terms energy: -871.227535 where: bonds (distance) C4'-P energy: -157.636 bonds (distance) P-C4' energy: -157.685 flat angles C4'-P-C4' energy: -194.942 flat angles P-C4'-P energy: -115.224 tors. eta vs tors. theta energy: -245.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2615.047306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.047306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.047306 (E_RNA) where: Base-Base interactions energy: -1785.106 where: short stacking energy: -782.802 Base-Backbone interact. energy: 1.240 local terms energy: -831.181280 where: bonds (distance) C4'-P energy: -153.244 bonds (distance) P-C4' energy: -172.159 flat angles C4'-P-C4' energy: -181.577 flat angles P-C4'-P energy: -117.972 tors. eta vs tors. theta energy: -206.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2405.612614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.612614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.612614 (E_RNA) where: Base-Base interactions energy: -1598.713 where: short stacking energy: -688.695 Base-Backbone interact. energy: -4.372 local terms energy: -802.527101 where: bonds (distance) C4'-P energy: -150.210 bonds (distance) P-C4' energy: -155.794 flat angles C4'-P-C4' energy: -176.469 flat angles P-C4'-P energy: -119.283 tors. eta vs tors. theta energy: -200.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2397.360913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.360913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.360913 (E_RNA) where: Base-Base interactions energy: -1637.976 where: short stacking energy: -689.198 Base-Backbone interact. energy: -4.783 local terms energy: -754.601179 where: bonds (distance) C4'-P energy: -137.753 bonds (distance) P-C4' energy: -151.191 flat angles C4'-P-C4' energy: -164.513 flat angles P-C4'-P energy: -124.112 tors. eta vs tors. theta energy: -177.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2128.640730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.640730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.640730 (E_RNA) where: Base-Base interactions energy: -1407.010 where: short stacking energy: -633.471 Base-Backbone interact. energy: -0.617 local terms energy: -721.013867 where: bonds (distance) C4'-P energy: -145.842 bonds (distance) P-C4' energy: -144.562 flat angles C4'-P-C4' energy: -172.622 flat angles P-C4'-P energy: -102.009 tors. eta vs tors. theta energy: -155.979 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: 6, replica: 5 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1852.261168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.261168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.261168 (E_RNA) where: Base-Base interactions energy: -1162.237 where: short stacking energy: -516.058 Base-Backbone interact. energy: 2.300 local terms energy: -692.325024 where: bonds (distance) C4'-P energy: -163.414 bonds (distance) P-C4' energy: -148.023 flat angles C4'-P-C4' energy: -158.680 flat angles P-C4'-P energy: -97.620 tors. eta vs tors. theta energy: -124.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1766.927977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.927977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.927977 (E_RNA) where: Base-Base interactions energy: -1145.476 where: short stacking energy: -495.649 Base-Backbone interact. energy: -0.948 local terms energy: -620.504190 where: bonds (distance) C4'-P energy: -126.357 bonds (distance) P-C4' energy: -140.000 flat angles C4'-P-C4' energy: -146.178 flat angles P-C4'-P energy: -95.755 tors. eta vs tors. theta energy: -112.214 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: 8 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1140.668939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.668939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.668939 (E_RNA) where: Base-Base interactions energy: -628.785 where: short stacking energy: -346.755 Base-Backbone interact. energy: -1.033 local terms energy: -510.851236 where: bonds (distance) C4'-P energy: -119.963 bonds (distance) P-C4' energy: -155.900 flat angles C4'-P-C4' energy: -126.858 flat angles P-C4'-P energy: -69.382 tors. eta vs tors. theta energy: -38.748 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: 7 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -982.851461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.851461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.851461 (E_RNA) where: Base-Base interactions energy: -520.384 where: short stacking energy: -299.041 Base-Backbone interact. energy: 4.593 local terms energy: -467.060740 where: bonds (distance) C4'-P energy: -127.886 bonds (distance) P-C4' energy: -131.107 flat angles C4'-P-C4' energy: -120.251 flat angles P-C4'-P energy: -66.989 tors. eta vs tors. theta energy: -20.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -612.552058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.552058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.552058 (E_RNA) where: Base-Base interactions energy: -209.580 where: short stacking energy: -173.120 Base-Backbone interact. energy: -1.410 local terms energy: -401.562869 where: bonds (distance) C4'-P energy: -126.002 bonds (distance) P-C4' energy: -140.791 flat angles C4'-P-C4' energy: -113.562 flat angles P-C4'-P energy: -54.273 tors. eta vs tors. theta energy: 33.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2725.917646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.917646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.917646 (E_RNA) where: Base-Base interactions energy: -1849.575 where: short stacking energy: -839.862 Base-Backbone interact. energy: -4.528 local terms energy: -871.815481 where: bonds (distance) C4'-P energy: -160.322 bonds (distance) P-C4' energy: -168.643 flat angles C4'-P-C4' energy: -165.840 flat angles P-C4'-P energy: -120.288 tors. eta vs tors. theta energy: -256.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2580.647419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.647419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.647419 (E_RNA) where: Base-Base interactions energy: -1758.805 where: short stacking energy: -719.712 Base-Backbone interact. energy: -6.934 local terms energy: -814.908743 where: bonds (distance) C4'-P energy: -164.937 bonds (distance) P-C4' energy: -141.821 flat angles C4'-P-C4' energy: -175.768 flat angles P-C4'-P energy: -122.910 tors. eta vs tors. theta energy: -209.473 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: 3 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2399.838792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.838792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.838792 (E_RNA) where: Base-Base interactions energy: -1617.304 where: short stacking energy: -700.526 Base-Backbone interact. energy: -6.827 local terms energy: -775.707402 where: bonds (distance) C4'-P energy: -145.662 bonds (distance) P-C4' energy: -154.577 flat angles C4'-P-C4' energy: -165.144 flat angles P-C4'-P energy: -108.722 tors. eta vs tors. theta energy: -201.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2338.731996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.731996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.731996 (E_RNA) where: Base-Base interactions energy: -1605.608 where: short stacking energy: -682.760 Base-Backbone interact. energy: 0.192 local terms energy: -733.316139 where: bonds (distance) C4'-P energy: -156.808 bonds (distance) P-C4' energy: -138.972 flat angles C4'-P-C4' energy: -158.346 flat angles P-C4'-P energy: -102.003 tors. eta vs tors. theta energy: -177.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1934.490274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.490274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.490274 (E_RNA) where: Base-Base interactions energy: -1242.893 where: short stacking energy: -574.534 Base-Backbone interact. energy: 0.874 local terms energy: -692.471642 where: bonds (distance) C4'-P energy: -146.790 bonds (distance) P-C4' energy: -152.137 flat angles C4'-P-C4' energy: -166.632 flat angles P-C4'-P energy: -101.604 tors. eta vs tors. theta energy: -125.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1963.480442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.480442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.480442 (E_RNA) where: Base-Base interactions energy: -1295.511 where: short stacking energy: -559.001 Base-Backbone interact. energy: -1.693 local terms energy: -666.275866 where: bonds (distance) C4'-P energy: -125.075 bonds (distance) P-C4' energy: -137.330 flat angles C4'-P-C4' energy: -159.567 flat angles P-C4'-P energy: -92.843 tors. eta vs tors. theta energy: -151.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1727.765949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.765949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.765949 (E_RNA) where: Base-Base interactions energy: -1113.858 where: short stacking energy: -469.524 Base-Backbone interact. energy: -3.656 local terms energy: -610.251204 where: bonds (distance) C4'-P energy: -125.691 bonds (distance) P-C4' energy: -150.272 flat angles C4'-P-C4' energy: -143.747 flat angles P-C4'-P energy: -88.338 tors. eta vs tors. theta energy: -102.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1092.205004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.205004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.205004 (E_RNA) where: Base-Base interactions energy: -635.911 where: short stacking energy: -334.896 Base-Backbone interact. energy: -0.757 local terms energy: -455.537656 where: bonds (distance) C4'-P energy: -119.719 bonds (distance) P-C4' energy: -120.519 flat angles C4'-P-C4' energy: -104.468 flat angles P-C4'-P energy: -86.197 tors. eta vs tors. theta energy: -24.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -945.320720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.320720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.320720 (E_RNA) where: Base-Base interactions energy: -508.059 where: short stacking energy: -317.960 Base-Backbone interact. energy: 3.192 local terms energy: -440.453652 where: bonds (distance) C4'-P energy: -113.261 bonds (distance) P-C4' energy: -137.212 flat angles C4'-P-C4' energy: -113.965 flat angles P-C4'-P energy: -55.422 tors. eta vs tors. theta energy: -20.594 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: 10 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -620.039025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.039025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.039025 (E_RNA) where: Base-Base interactions energy: -215.453 where: short stacking energy: -182.819 Base-Backbone interact. energy: 2.173 local terms energy: -406.758292 where: bonds (distance) C4'-P energy: -139.620 bonds (distance) P-C4' energy: -121.645 flat angles C4'-P-C4' energy: -103.817 flat angles P-C4'-P energy: -65.918 tors. eta vs tors. theta energy: 24.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2754.599232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.599232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.599232 (E_RNA) where: Base-Base interactions energy: -1863.971 where: short stacking energy: -820.706 Base-Backbone interact. energy: -3.655 local terms energy: -886.973082 where: bonds (distance) C4'-P energy: -161.489 bonds (distance) P-C4' energy: -158.680 flat angles C4'-P-C4' energy: -182.623 flat angles P-C4'-P energy: -134.778 tors. eta vs tors. theta energy: -249.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2623.252349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.252349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.252349 (E_RNA) where: Base-Base interactions energy: -1775.587 where: short stacking energy: -790.698 Base-Backbone interact. energy: -6.534 local terms energy: -841.130880 where: bonds (distance) C4'-P energy: -157.342 bonds (distance) P-C4' energy: -170.457 flat angles C4'-P-C4' energy: -193.231 flat angles P-C4'-P energy: -104.756 tors. eta vs tors. theta energy: -215.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2392.532660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.532660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.532660 (E_RNA) where: Base-Base interactions energy: -1608.479 where: short stacking energy: -702.564 Base-Backbone interact. energy: -3.756 local terms energy: -780.297926 where: bonds (distance) C4'-P energy: -152.017 bonds (distance) P-C4' energy: -157.777 flat angles C4'-P-C4' energy: -170.186 flat angles P-C4'-P energy: -111.005 tors. eta vs tors. theta energy: -189.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2343.401394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.401394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.401394 (E_RNA) where: Base-Base interactions energy: -1580.042 where: short stacking energy: -672.838 Base-Backbone interact. energy: -0.405 local terms energy: -762.954871 where: bonds (distance) C4'-P energy: -133.737 bonds (distance) P-C4' energy: -161.516 flat angles C4'-P-C4' energy: -169.908 flat angles P-C4'-P energy: -119.160 tors. eta vs tors. theta energy: -178.633 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: 5, replica: 5 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1981.462144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.462144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.462144 (E_RNA) where: Base-Base interactions energy: -1308.925 where: short stacking energy: -593.286 Base-Backbone interact. energy: -3.270 local terms energy: -669.266711 where: bonds (distance) C4'-P energy: -131.062 bonds (distance) P-C4' energy: -147.841 flat angles C4'-P-C4' energy: -157.073 flat angles P-C4'-P energy: -90.725 tors. eta vs tors. theta energy: -142.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1867.402822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.402822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.402822 (E_RNA) where: Base-Base interactions energy: -1224.345 where: short stacking energy: -535.469 Base-Backbone interact. energy: -2.787 local terms energy: -640.270503 where: bonds (distance) C4'-P energy: -143.898 bonds (distance) P-C4' energy: -129.059 flat angles C4'-P-C4' energy: -148.247 flat angles P-C4'-P energy: -96.949 tors. eta vs tors. theta energy: -122.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1727.409108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.409108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.409108 (E_RNA) where: Base-Base interactions energy: -1091.396 where: short stacking energy: -499.096 Base-Backbone interact. energy: -2.888 local terms energy: -633.125458 where: bonds (distance) C4'-P energy: -122.003 bonds (distance) P-C4' energy: -152.165 flat angles C4'-P-C4' energy: -137.284 flat angles P-C4'-P energy: -102.163 tors. eta vs tors. theta energy: -119.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1109.917601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.917601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.917601 (E_RNA) where: Base-Base interactions energy: -623.680 where: short stacking energy: -325.547 Base-Backbone interact. energy: -1.748 local terms energy: -484.489705 where: bonds (distance) C4'-P energy: -127.962 bonds (distance) P-C4' energy: -125.858 flat angles C4'-P-C4' energy: -131.468 flat angles P-C4'-P energy: -82.150 tors. eta vs tors. theta energy: -17.051 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: 7 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1030.982146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.982146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.982146 (E_RNA) where: Base-Base interactions energy: -536.874 where: short stacking energy: -307.325 Base-Backbone interact. energy: -3.155 local terms energy: -490.953138 where: bonds (distance) C4'-P energy: -120.728 bonds (distance) P-C4' energy: -140.802 flat angles C4'-P-C4' energy: -122.694 flat angles P-C4'-P energy: -71.548 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: 10 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -611.453382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.453382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.453382 (E_RNA) where: Base-Base interactions energy: -217.120 where: short stacking energy: -198.988 Base-Backbone interact. energy: 1.977 local terms energy: -396.310378 where: bonds (distance) C4'-P energy: -128.527 bonds (distance) P-C4' energy: -124.562 flat angles C4'-P-C4' energy: -114.356 flat angles P-C4'-P energy: -51.915 tors. eta vs tors. theta energy: 23.050 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: 1 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2751.100473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.100473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.100473 (E_RNA) where: Base-Base interactions energy: -1861.207 where: short stacking energy: -837.055 Base-Backbone interact. energy: -1.639 local terms energy: -888.255179 where: bonds (distance) C4'-P energy: -158.569 bonds (distance) P-C4' energy: -155.241 flat angles C4'-P-C4' energy: -198.246 flat angles P-C4'-P energy: -123.765 tors. eta vs tors. theta energy: -252.434 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: 270 Temperature: 0.950000 Total energy: -2598.933048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.933048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.933048 (E_RNA) where: Base-Base interactions energy: -1769.014 where: short stacking energy: -757.169 Base-Backbone interact. energy: -1.625 local terms energy: -828.294876 where: bonds (distance) C4'-P energy: -147.665 bonds (distance) P-C4' energy: -163.100 flat angles C4'-P-C4' energy: -180.790 flat angles P-C4'-P energy: -120.852 tors. eta vs tors. theta energy: -215.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2407.526281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.526281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.526281 (E_RNA) where: Base-Base interactions energy: -1635.974 where: short stacking energy: -749.913 Base-Backbone interact. energy: 3.106 local terms energy: -774.657701 where: bonds (distance) C4'-P energy: -155.723 bonds (distance) P-C4' energy: -159.715 flat angles C4'-P-C4' energy: -161.854 flat angles P-C4'-P energy: -99.968 tors. eta vs tors. theta energy: -197.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2378.054362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.054362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.054362 (E_RNA) where: Base-Base interactions energy: -1648.928 where: short stacking energy: -713.366 Base-Backbone interact. energy: -0.504 local terms energy: -728.622020 where: bonds (distance) C4'-P energy: -124.877 bonds (distance) P-C4' energy: -147.695 flat angles C4'-P-C4' energy: -166.531 flat angles P-C4'-P energy: -107.915 tors. eta vs tors. theta energy: -181.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2004.423484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.423484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.423484 (E_RNA) where: Base-Base interactions energy: -1300.137 where: short stacking energy: -595.516 Base-Backbone interact. energy: -2.612 local terms energy: -701.674913 where: bonds (distance) C4'-P energy: -142.317 bonds (distance) P-C4' energy: -152.452 flat angles C4'-P-C4' energy: -156.701 flat angles P-C4'-P energy: -100.695 tors. eta vs tors. theta energy: -149.510 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: 6 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1798.529360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.529360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.529360 (E_RNA) where: Base-Base interactions energy: -1157.870 where: short stacking energy: -507.939 Base-Backbone interact. energy: -1.308 local terms energy: -639.351248 where: bonds (distance) C4'-P energy: -135.839 bonds (distance) P-C4' energy: -139.377 flat angles C4'-P-C4' energy: -142.549 flat angles P-C4'-P energy: -93.252 tors. eta vs tors. theta energy: -128.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1721.963639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.963639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.963639 (E_RNA) where: Base-Base interactions energy: -1134.502 where: short stacking energy: -502.976 Base-Backbone interact. energy: -1.859 local terms energy: -585.602170 where: bonds (distance) C4'-P energy: -143.844 bonds (distance) P-C4' energy: -120.758 flat angles C4'-P-C4' energy: -140.954 flat angles P-C4'-P energy: -83.637 tors. eta vs tors. theta energy: -96.409 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: 8, replica: 8 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1160.714845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.714845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.714845 (E_RNA) where: Base-Base interactions energy: -652.976 where: short stacking energy: -313.086 Base-Backbone interact. energy: -1.485 local terms energy: -506.253516 where: bonds (distance) C4'-P energy: -119.346 bonds (distance) P-C4' energy: -122.252 flat angles C4'-P-C4' energy: -146.344 flat angles P-C4'-P energy: -83.933 tors. eta vs tors. theta energy: -34.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -969.797563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.797563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.797563 (E_RNA) where: Base-Base interactions energy: -508.542 where: short stacking energy: -311.937 Base-Backbone interact. energy: 7.064 local terms energy: -468.319919 where: bonds (distance) C4'-P energy: -112.455 bonds (distance) P-C4' energy: -134.350 flat angles C4'-P-C4' energy: -128.302 flat angles P-C4'-P energy: -67.794 tors. eta vs tors. theta energy: -25.419 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: 10, replica: 10 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -651.698501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.698501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.698501 (E_RNA) where: Base-Base interactions energy: -253.171 where: short stacking energy: -182.648 Base-Backbone interact. energy: 3.072 local terms energy: -401.599074 where: bonds (distance) C4'-P energy: -130.096 bonds (distance) P-C4' energy: -136.446 flat angles C4'-P-C4' energy: -107.719 flat angles P-C4'-P energy: -55.449 tors. eta vs tors. theta energy: 28.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2722.045995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.045995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.045995 (E_RNA) where: Base-Base interactions energy: -1843.895 where: short stacking energy: -835.475 Base-Backbone interact. energy: -0.952 local terms energy: -877.198993 where: bonds (distance) C4'-P energy: -147.683 bonds (distance) P-C4' energy: -159.797 flat angles C4'-P-C4' energy: -193.909 flat angles P-C4'-P energy: -118.475 tors. eta vs tors. theta energy: -257.335 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: 271 Temperature: 0.950000 Total energy: -2592.922455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.922455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.922455 (E_RNA) where: Base-Base interactions energy: -1768.968 where: short stacking energy: -748.956 Base-Backbone interact. energy: -3.461 local terms energy: -820.493430 where: bonds (distance) C4'-P energy: -153.864 bonds (distance) P-C4' energy: -165.700 flat angles C4'-P-C4' energy: -180.456 flat angles P-C4'-P energy: -118.555 tors. eta vs tors. theta energy: -201.919 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: 3 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2460.664976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.664976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.664976 (E_RNA) where: Base-Base interactions energy: -1643.127 where: short stacking energy: -733.765 Base-Backbone interact. energy: -0.460 local terms energy: -817.078195 where: bonds (distance) C4'-P energy: -158.027 bonds (distance) P-C4' energy: -156.668 flat angles C4'-P-C4' energy: -182.487 flat angles P-C4'-P energy: -116.746 tors. eta vs tors. theta energy: -203.150 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: 9 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2307.283224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.283224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.283224 (E_RNA) where: Base-Base interactions energy: -1572.145 where: short stacking energy: -677.626 Base-Backbone interact. energy: 2.374 local terms energy: -737.511555 where: bonds (distance) C4'-P energy: -137.563 bonds (distance) P-C4' energy: -148.332 flat angles C4'-P-C4' energy: -165.158 flat angles P-C4'-P energy: -98.599 tors. eta vs tors. theta energy: -187.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1995.612046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.612046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.612046 (E_RNA) where: Base-Base interactions energy: -1300.029 where: short stacking energy: -578.013 Base-Backbone interact. energy: -2.114 local terms energy: -693.468191 where: bonds (distance) C4'-P energy: -144.571 bonds (distance) P-C4' energy: -143.858 flat angles C4'-P-C4' energy: -151.060 flat angles P-C4'-P energy: -105.870 tors. eta vs tors. theta energy: -148.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1822.618397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.618397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.618397 (E_RNA) where: Base-Base interactions energy: -1179.114 where: short stacking energy: -552.032 Base-Backbone interact. energy: 4.975 local terms energy: -648.478988 where: bonds (distance) C4'-P energy: -131.812 bonds (distance) P-C4' energy: -146.772 flat angles C4'-P-C4' energy: -151.989 flat angles P-C4'-P energy: -78.064 tors. eta vs tors. theta energy: -139.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1692.565972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.565972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.565972 (E_RNA) where: Base-Base interactions energy: -1092.070 where: short stacking energy: -491.938 Base-Backbone interact. energy: 1.742 local terms energy: -602.237816 where: bonds (distance) C4'-P energy: -143.824 bonds (distance) P-C4' energy: -144.085 flat angles C4'-P-C4' energy: -136.383 flat angles P-C4'-P energy: -80.341 tors. eta vs tors. theta energy: -97.604 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: 271 Temperature: 1.250000 Total energy: -1108.201693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.201693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.201693 (E_RNA) where: Base-Base interactions energy: -594.107 where: short stacking energy: -335.237 Base-Backbone interact. energy: -1.540 local terms energy: -512.554374 where: bonds (distance) C4'-P energy: -114.134 bonds (distance) P-C4' energy: -146.941 flat angles C4'-P-C4' energy: -127.642 flat angles P-C4'-P energy: -79.452 tors. eta vs tors. theta energy: -44.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -990.136610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.136610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.136610 (E_RNA) where: Base-Base interactions energy: -521.314 where: short stacking energy: -284.255 Base-Backbone interact. energy: 3.546 local terms energy: -472.368526 where: bonds (distance) C4'-P energy: -136.713 bonds (distance) P-C4' energy: -121.621 flat angles C4'-P-C4' energy: -132.794 flat angles P-C4'-P energy: -57.210 tors. eta vs tors. theta energy: -24.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -718.127700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.127700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.127700 (E_RNA) where: Base-Base interactions energy: -271.948 where: short stacking energy: -180.022 Base-Backbone interact. energy: 0.878 local terms energy: -447.057844 where: bonds (distance) C4'-P energy: -132.467 bonds (distance) P-C4' energy: -144.929 flat angles C4'-P-C4' energy: -116.309 flat angles P-C4'-P energy: -60.687 tors. eta vs tors. theta energy: 7.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2730.880877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.880877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.880877 (E_RNA) where: Base-Base interactions energy: -1834.317 where: short stacking energy: -845.873 Base-Backbone interact. energy: -0.903 local terms energy: -895.660818 where: bonds (distance) C4'-P energy: -165.270 bonds (distance) P-C4' energy: -157.195 flat angles C4'-P-C4' energy: -186.357 flat angles P-C4'-P energy: -138.331 tors. eta vs tors. theta energy: -248.507 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: 2 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2602.398297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.398297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.398297 (E_RNA) where: Base-Base interactions energy: -1774.571 where: short stacking energy: -773.890 Base-Backbone interact. energy: -3.844 local terms energy: -823.983888 where: bonds (distance) C4'-P energy: -163.320 bonds (distance) P-C4' energy: -139.337 flat angles C4'-P-C4' energy: -172.145 flat angles P-C4'-P energy: -136.420 tors. eta vs tors. theta energy: -212.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2484.180352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.180352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.180352 (E_RNA) where: Base-Base interactions energy: -1690.503 where: short stacking energy: -737.734 Base-Backbone interact. energy: -1.580 local terms energy: -792.098199 where: bonds (distance) C4'-P energy: -147.408 bonds (distance) P-C4' energy: -133.178 flat angles C4'-P-C4' energy: -185.447 flat angles P-C4'-P energy: -109.530 tors. eta vs tors. theta energy: -216.535 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: 9 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2330.506698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.506698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.506698 (E_RNA) where: Base-Base interactions energy: -1574.848 where: short stacking energy: -683.705 Base-Backbone interact. energy: -0.859 local terms energy: -754.799860 where: bonds (distance) C4'-P energy: -144.674 bonds (distance) P-C4' energy: -160.944 flat angles C4'-P-C4' energy: -167.993 flat angles P-C4'-P energy: -114.082 tors. eta vs tors. theta energy: -167.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2095.276015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.276015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.276015 (E_RNA) where: Base-Base interactions energy: -1387.609 where: short stacking energy: -621.790 Base-Backbone interact. energy: -0.354 local terms energy: -707.312680 where: bonds (distance) C4'-P energy: -148.264 bonds (distance) P-C4' energy: -143.709 flat angles C4'-P-C4' energy: -156.528 flat angles P-C4'-P energy: -89.106 tors. eta vs tors. theta energy: -169.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1883.673450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.673450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.673450 (E_RNA) where: Base-Base interactions energy: -1195.325 where: short stacking energy: -564.851 Base-Backbone interact. energy: -2.165 local terms energy: -686.182979 where: bonds (distance) C4'-P energy: -134.286 bonds (distance) P-C4' energy: -139.720 flat angles C4'-P-C4' energy: -155.548 flat angles P-C4'-P energy: -107.969 tors. eta vs tors. theta energy: -148.661 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: 4 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1672.056948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.056948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.056948 (E_RNA) where: Base-Base interactions energy: -1085.383 where: short stacking energy: -482.098 Base-Backbone interact. energy: 0.437 local terms energy: -587.110839 where: bonds (distance) C4'-P energy: -124.591 bonds (distance) P-C4' energy: -145.390 flat angles C4'-P-C4' energy: -124.115 flat angles P-C4'-P energy: -92.223 tors. eta vs tors. theta energy: -100.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1166.302230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.302230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.302230 (E_RNA) where: Base-Base interactions energy: -659.102 where: short stacking energy: -325.635 Base-Backbone interact. energy: -2.548 local terms energy: -504.651497 where: bonds (distance) C4'-P energy: -137.577 bonds (distance) P-C4' energy: -131.404 flat angles C4'-P-C4' energy: -131.124 flat angles P-C4'-P energy: -83.866 tors. eta vs tors. theta energy: -20.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1040.482802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.482802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.482802 (E_RNA) where: Base-Base interactions energy: -536.839 where: short stacking energy: -318.904 Base-Backbone interact. energy: -1.068 local terms energy: -502.575246 where: bonds (distance) C4'-P energy: -127.134 bonds (distance) P-C4' energy: -127.976 flat angles C4'-P-C4' energy: -123.205 flat angles P-C4'-P energy: -78.364 tors. eta vs tors. theta energy: -45.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -606.069359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.069359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.069359 (E_RNA) where: Base-Base interactions energy: -210.792 where: short stacking energy: -173.891 Base-Backbone interact. energy: 4.241 local terms energy: -399.518813 where: bonds (distance) C4'-P energy: -143.520 bonds (distance) P-C4' energy: -142.304 flat angles C4'-P-C4' energy: -94.138 flat angles P-C4'-P energy: -62.055 tors. eta vs tors. theta energy: 42.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2710.324188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.324188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.324188 (E_RNA) where: Base-Base interactions energy: -1839.452 where: short stacking energy: -819.424 Base-Backbone interact. energy: -2.000 local terms energy: -868.871490 where: bonds (distance) C4'-P energy: -148.731 bonds (distance) P-C4' energy: -167.187 flat angles C4'-P-C4' energy: -185.580 flat angles P-C4'-P energy: -117.192 tors. eta vs tors. theta energy: -250.182 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: 273 Temperature: 0.950000 Total energy: -2563.268427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.268427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.268427 (E_RNA) where: Base-Base interactions energy: -1745.196 where: short stacking energy: -751.560 Base-Backbone interact. energy: -2.619 local terms energy: -815.454221 where: bonds (distance) C4'-P energy: -163.805 bonds (distance) P-C4' energy: -155.237 flat angles C4'-P-C4' energy: -182.614 flat angles P-C4'-P energy: -115.394 tors. eta vs tors. theta energy: -198.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2520.834627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.834627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.834627 (E_RNA) where: Base-Base interactions energy: -1694.947 where: short stacking energy: -737.376 Base-Backbone interact. energy: -5.507 local terms energy: -820.380858 where: bonds (distance) C4'-P energy: -167.690 bonds (distance) P-C4' energy: -154.504 flat angles C4'-P-C4' energy: -182.560 flat angles P-C4'-P energy: -111.233 tors. eta vs tors. theta energy: -204.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2325.133035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.133035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.133035 (E_RNA) where: Base-Base interactions energy: -1579.936 where: short stacking energy: -703.968 Base-Backbone interact. energy: -0.383 local terms energy: -744.814868 where: bonds (distance) C4'-P energy: -128.740 bonds (distance) P-C4' energy: -146.949 flat angles C4'-P-C4' energy: -164.483 flat angles P-C4'-P energy: -117.985 tors. eta vs tors. theta energy: -186.658 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: 5, replica: 5 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2059.708972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.708972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.708972 (E_RNA) where: Base-Base interactions energy: -1354.422 where: short stacking energy: -598.698 Base-Backbone interact. energy: -1.740 local terms energy: -703.546294 where: bonds (distance) C4'-P energy: -137.788 bonds (distance) P-C4' energy: -148.674 flat angles C4'-P-C4' energy: -173.809 flat angles P-C4'-P energy: -99.990 tors. eta vs tors. theta energy: -143.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1826.179639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.179639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.179639 (E_RNA) where: Base-Base interactions energy: -1177.981 where: short stacking energy: -523.071 Base-Backbone interact. energy: 2.594 local terms energy: -650.792803 where: bonds (distance) C4'-P energy: -131.578 bonds (distance) P-C4' energy: -156.150 flat angles C4'-P-C4' energy: -147.998 flat angles P-C4'-P energy: -81.746 tors. eta vs tors. theta energy: -133.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1692.275696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.275696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.275696 (E_RNA) where: Base-Base interactions energy: -1104.828 where: short stacking energy: -505.011 Base-Backbone interact. energy: -1.114 local terms energy: -586.333900 where: bonds (distance) C4'-P energy: -137.761 bonds (distance) P-C4' energy: -130.704 flat angles C4'-P-C4' energy: -142.285 flat angles P-C4'-P energy: -70.468 tors. eta vs tors. theta energy: -105.117 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: 8 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1238.931847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.931847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.931847 (E_RNA) where: Base-Base interactions energy: -723.234 where: short stacking energy: -365.106 Base-Backbone interact. energy: 2.368 local terms energy: -518.065972 where: bonds (distance) C4'-P energy: -119.208 bonds (distance) P-C4' energy: -137.455 flat angles C4'-P-C4' energy: -138.208 flat angles P-C4'-P energy: -65.276 tors. eta vs tors. theta energy: -57.919 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: 7 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -967.937472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.937472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.937472 (E_RNA) where: Base-Base interactions energy: -495.455 where: short stacking energy: -288.637 Base-Backbone interact. energy: 4.064 local terms energy: -476.546484 where: bonds (distance) C4'-P energy: -121.361 bonds (distance) P-C4' energy: -134.759 flat angles C4'-P-C4' energy: -113.425 flat angles P-C4'-P energy: -66.209 tors. eta vs tors. theta energy: -40.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -606.192143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.192143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.192143 (E_RNA) where: Base-Base interactions energy: -193.199 where: short stacking energy: -169.566 Base-Backbone interact. energy: 4.234 local terms energy: -417.226511 where: bonds (distance) C4'-P energy: -123.649 bonds (distance) P-C4' energy: -135.295 flat angles C4'-P-C4' energy: -107.201 flat angles P-C4'-P energy: -73.972 tors. eta vs tors. theta energy: 22.891 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: 1 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2688.196006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.196006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.196006 (E_RNA) where: Base-Base interactions energy: -1808.054 where: short stacking energy: -825.241 Base-Backbone interact. energy: -3.338 local terms energy: -876.804059 where: bonds (distance) C4'-P energy: -153.183 bonds (distance) P-C4' energy: -169.347 flat angles C4'-P-C4' energy: -186.055 flat angles P-C4'-P energy: -128.651 tors. eta vs tors. theta energy: -239.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2616.400399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.400399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.400399 (E_RNA) where: Base-Base interactions energy: -1785.312 where: short stacking energy: -752.853 Base-Backbone interact. energy: -0.707 local terms energy: -830.380753 where: bonds (distance) C4'-P energy: -162.419 bonds (distance) P-C4' energy: -155.716 flat angles C4'-P-C4' energy: -190.184 flat angles P-C4'-P energy: -113.995 tors. eta vs tors. theta energy: -208.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2484.253085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.253085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.253085 (E_RNA) where: Base-Base interactions energy: -1664.365 where: short stacking energy: -735.155 Base-Backbone interact. energy: -4.608 local terms energy: -815.280144 where: bonds (distance) C4'-P energy: -158.255 bonds (distance) P-C4' energy: -168.325 flat angles C4'-P-C4' energy: -172.161 flat angles P-C4'-P energy: -99.841 tors. eta vs tors. theta energy: -216.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2342.506047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.506047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.506047 (E_RNA) where: Base-Base interactions energy: -1588.037 where: short stacking energy: -684.431 Base-Backbone interact. energy: -5.058 local terms energy: -749.411250 where: bonds (distance) C4'-P energy: -152.654 bonds (distance) P-C4' energy: -148.540 flat angles C4'-P-C4' energy: -155.922 flat angles P-C4'-P energy: -110.721 tors. eta vs tors. theta energy: -181.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2036.775207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.775207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.775207 (E_RNA) where: Base-Base interactions energy: -1365.918 where: short stacking energy: -608.057 Base-Backbone interact. energy: -4.853 local terms energy: -666.003965 where: bonds (distance) C4'-P energy: -136.388 bonds (distance) P-C4' energy: -144.861 flat angles C4'-P-C4' energy: -181.261 flat angles P-C4'-P energy: -86.159 tors. eta vs tors. theta energy: -117.336 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: 6, replica: 6 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1891.498514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.498514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.498514 (E_RNA) where: Base-Base interactions energy: -1235.959 where: short stacking energy: -551.263 Base-Backbone interact. energy: -3.440 local terms energy: -652.099537 where: bonds (distance) C4'-P energy: -136.114 bonds (distance) P-C4' energy: -142.068 flat angles C4'-P-C4' energy: -136.664 flat angles P-C4'-P energy: -88.746 tors. eta vs tors. theta energy: -148.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1665.943539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.943539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.943539 (E_RNA) where: Base-Base interactions energy: -1054.415 where: short stacking energy: -487.194 Base-Backbone interact. energy: 1.676 local terms energy: -613.204908 where: bonds (distance) C4'-P energy: -129.400 bonds (distance) P-C4' energy: -151.882 flat angles C4'-P-C4' energy: -134.931 flat angles P-C4'-P energy: -101.743 tors. eta vs tors. theta energy: -95.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1226.198569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.198569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.198569 (E_RNA) where: Base-Base interactions energy: -691.803 where: short stacking energy: -365.721 Base-Backbone interact. energy: -2.814 local terms energy: -531.581411 where: bonds (distance) C4'-P energy: -133.913 bonds (distance) P-C4' energy: -127.307 flat angles C4'-P-C4' energy: -124.833 flat angles P-C4'-P energy: -91.923 tors. eta vs tors. theta energy: -53.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1084.935082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.935082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.935082 (E_RNA) where: Base-Base interactions energy: -634.914 where: short stacking energy: -309.443 Base-Backbone interact. energy: 9.905 local terms energy: -459.925918 where: bonds (distance) C4'-P energy: -133.253 bonds (distance) P-C4' energy: -131.432 flat angles C4'-P-C4' energy: -112.375 flat angles P-C4'-P energy: -57.753 tors. eta vs tors. theta energy: -25.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -623.024307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.024307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.024307 (E_RNA) where: Base-Base interactions energy: -214.819 where: short stacking energy: -142.814 Base-Backbone interact. energy: 0.852 local terms energy: -409.057689 where: bonds (distance) C4'-P energy: -138.698 bonds (distance) P-C4' energy: -139.553 flat angles C4'-P-C4' energy: -121.934 flat angles P-C4'-P energy: -42.405 tors. eta vs tors. theta energy: 33.532 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: 1, replica: 1 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2732.273354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.273354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.273354 (E_RNA) where: Base-Base interactions energy: -1835.604 where: short stacking energy: -821.821 Base-Backbone interact. energy: 0.008 local terms energy: -896.676642 where: bonds (distance) C4'-P energy: -159.625 bonds (distance) P-C4' energy: -165.690 flat angles C4'-P-C4' energy: -191.457 flat angles P-C4'-P energy: -135.659 tors. eta vs tors. theta energy: -244.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2581.661252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.661252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.661252 (E_RNA) where: Base-Base interactions energy: -1788.048 where: short stacking energy: -760.940 Base-Backbone interact. energy: -6.287 local terms energy: -787.326826 where: bonds (distance) C4'-P energy: -148.240 bonds (distance) P-C4' energy: -154.169 flat angles C4'-P-C4' energy: -164.725 flat angles P-C4'-P energy: -112.938 tors. eta vs tors. theta energy: -207.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2457.552581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.552581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.552581 (E_RNA) where: Base-Base interactions energy: -1635.270 where: short stacking energy: -725.768 Base-Backbone interact. energy: 0.570 local terms energy: -822.852538 where: bonds (distance) C4'-P energy: -157.705 bonds (distance) P-C4' energy: -167.184 flat angles C4'-P-C4' energy: -173.338 flat angles P-C4'-P energy: -115.147 tors. eta vs tors. theta energy: -209.477 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: 4, replica: 9 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2333.031489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.031489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.031489 (E_RNA) where: Base-Base interactions energy: -1579.845 where: short stacking energy: -713.004 Base-Backbone interact. energy: -1.702 local terms energy: -751.484142 where: bonds (distance) C4'-P energy: -145.099 bonds (distance) P-C4' energy: -157.676 flat angles C4'-P-C4' energy: -162.127 flat angles P-C4'-P energy: -95.636 tors. eta vs tors. theta energy: -190.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2030.291482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.291482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.291482 (E_RNA) where: Base-Base interactions energy: -1351.741 where: short stacking energy: -577.339 Base-Backbone interact. energy: -2.052 local terms energy: -676.498757 where: bonds (distance) C4'-P energy: -153.341 bonds (distance) P-C4' energy: -126.980 flat angles C4'-P-C4' energy: -168.835 flat angles P-C4'-P energy: -102.699 tors. eta vs tors. theta energy: -124.644 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: 6 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1860.272373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.272373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.272373 (E_RNA) where: Base-Base interactions energy: -1217.775 where: short stacking energy: -552.168 Base-Backbone interact. energy: 1.163 local terms energy: -643.660511 where: bonds (distance) C4'-P energy: -148.424 bonds (distance) P-C4' energy: -133.377 flat angles C4'-P-C4' energy: -135.810 flat angles P-C4'-P energy: -86.254 tors. eta vs tors. theta energy: -139.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1686.298210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.298210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.298210 (E_RNA) where: Base-Base interactions energy: -1101.021 where: short stacking energy: -480.323 Base-Backbone interact. energy: -3.322 local terms energy: -581.954485 where: bonds (distance) C4'-P energy: -128.883 bonds (distance) P-C4' energy: -135.272 flat angles C4'-P-C4' energy: -150.300 flat angles P-C4'-P energy: -84.598 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: 8, replica: 8 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1261.851913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.851913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.851913 (E_RNA) where: Base-Base interactions energy: -748.984 where: short stacking energy: -372.001 Base-Backbone interact. energy: 0.068 local terms energy: -512.935816 where: bonds (distance) C4'-P energy: -142.447 bonds (distance) P-C4' energy: -134.241 flat angles C4'-P-C4' energy: -130.210 flat angles P-C4'-P energy: -72.581 tors. eta vs tors. theta energy: -33.457 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: 7 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1146.703088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.703088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.703088 (E_RNA) where: Base-Base interactions energy: -600.252 where: short stacking energy: -281.406 Base-Backbone interact. energy: -2.274 local terms energy: -544.177166 where: bonds (distance) C4'-P energy: -136.705 bonds (distance) P-C4' energy: -145.737 flat angles C4'-P-C4' energy: -140.520 flat angles P-C4'-P energy: -96.403 tors. eta vs tors. theta energy: -24.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -695.723175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.723175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.723175 (E_RNA) where: Base-Base interactions energy: -280.574 where: short stacking energy: -223.086 Base-Backbone interact. energy: -2.256 local terms energy: -412.893047 where: bonds (distance) C4'-P energy: -135.471 bonds (distance) P-C4' energy: -129.136 flat angles C4'-P-C4' energy: -99.161 flat angles P-C4'-P energy: -59.880 tors. eta vs tors. theta energy: 10.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2737.380174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.380174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.380174 (E_RNA) where: Base-Base interactions energy: -1827.297 where: short stacking energy: -827.585 Base-Backbone interact. energy: -1.012 local terms energy: -909.070319 where: bonds (distance) C4'-P energy: -166.458 bonds (distance) P-C4' energy: -164.742 flat angles C4'-P-C4' energy: -203.400 flat angles P-C4'-P energy: -132.121 tors. eta vs tors. theta energy: -242.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2563.030942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.030942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.030942 (E_RNA) where: Base-Base interactions energy: -1746.225 where: short stacking energy: -742.847 Base-Backbone interact. energy: -3.745 local terms energy: -813.061263 where: bonds (distance) C4'-P energy: -154.415 bonds (distance) P-C4' energy: -165.584 flat angles C4'-P-C4' energy: -181.048 flat angles P-C4'-P energy: -114.865 tors. eta vs tors. theta energy: -197.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2469.456325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.456325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.456325 (E_RNA) where: Base-Base interactions energy: -1668.111 where: short stacking energy: -721.794 Base-Backbone interact. energy: -0.346 local terms energy: -801.000008 where: bonds (distance) C4'-P energy: -142.361 bonds (distance) P-C4' energy: -160.848 flat angles C4'-P-C4' energy: -175.771 flat angles P-C4'-P energy: -114.120 tors. eta vs tors. theta energy: -207.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2370.353718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.353718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.353718 (E_RNA) where: Base-Base interactions energy: -1616.948 where: short stacking energy: -711.378 Base-Backbone interact. energy: -1.379 local terms energy: -752.026807 where: bonds (distance) C4'-P energy: -142.730 bonds (distance) P-C4' energy: -156.953 flat angles C4'-P-C4' energy: -165.000 flat angles P-C4'-P energy: -113.106 tors. eta vs tors. theta energy: -174.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2010.382140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.382140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.382140 (E_RNA) where: Base-Base interactions energy: -1288.175 where: short stacking energy: -567.997 Base-Backbone interact. energy: -4.028 local terms energy: -718.179270 where: bonds (distance) C4'-P energy: -149.090 bonds (distance) P-C4' energy: -150.974 flat angles C4'-P-C4' energy: -172.548 flat angles P-C4'-P energy: -110.012 tors. eta vs tors. theta energy: -135.555 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: 6 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1885.066834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.066834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.066834 (E_RNA) where: Base-Base interactions energy: -1222.762 where: short stacking energy: -571.711 Base-Backbone interact. energy: -1.303 local terms energy: -661.000912 where: bonds (distance) C4'-P energy: -136.054 bonds (distance) P-C4' energy: -147.720 flat angles C4'-P-C4' energy: -153.728 flat angles P-C4'-P energy: -77.213 tors. eta vs tors. theta energy: -146.285 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: 4 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1678.049446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.049446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.049446 (E_RNA) where: Base-Base interactions energy: -1096.464 where: short stacking energy: -453.517 Base-Backbone interact. energy: -1.829 local terms energy: -579.757036 where: bonds (distance) C4'-P energy: -119.874 bonds (distance) P-C4' energy: -140.757 flat angles C4'-P-C4' energy: -130.599 flat angles P-C4'-P energy: -100.415 tors. eta vs tors. theta energy: -88.112 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: 8 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1277.191913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.191913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.191913 (E_RNA) where: Base-Base interactions energy: -738.254 where: short stacking energy: -354.437 Base-Backbone interact. energy: -1.402 local terms energy: -537.535263 where: bonds (distance) C4'-P energy: -142.685 bonds (distance) P-C4' energy: -141.289 flat angles C4'-P-C4' energy: -118.605 flat angles P-C4'-P energy: -84.357 tors. eta vs tors. theta energy: -50.599 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: 9, replica: 7 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1106.868272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.868272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.868272 (E_RNA) where: Base-Base interactions energy: -642.064 where: short stacking energy: -334.222 Base-Backbone interact. energy: 3.931 local terms energy: -468.734873 where: bonds (distance) C4'-P energy: -135.775 bonds (distance) P-C4' energy: -122.552 flat angles C4'-P-C4' energy: -111.814 flat angles P-C4'-P energy: -73.495 tors. eta vs tors. theta energy: -25.098 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: 10 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -657.951389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.951389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.951389 (E_RNA) where: Base-Base interactions energy: -270.444 where: short stacking energy: -178.508 Base-Backbone interact. energy: 1.854 local terms energy: -389.361422 where: bonds (distance) C4'-P energy: -120.141 bonds (distance) P-C4' energy: -132.908 flat angles C4'-P-C4' energy: -106.042 flat angles P-C4'-P energy: -70.541 tors. eta vs tors. theta energy: 40.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2712.852141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.852141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.852141 (E_RNA) where: Base-Base interactions energy: -1841.519 where: short stacking energy: -862.055 Base-Backbone interact. energy: -2.897 local terms energy: -868.436008 where: bonds (distance) C4'-P energy: -140.264 bonds (distance) P-C4' energy: -168.035 flat angles C4'-P-C4' energy: -188.556 flat angles P-C4'-P energy: -123.092 tors. eta vs tors. theta energy: -248.490 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: 2 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2566.526502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.526502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.526502 (E_RNA) where: Base-Base interactions energy: -1755.851 where: short stacking energy: -747.996 Base-Backbone interact. energy: -4.186 local terms energy: -806.489579 where: bonds (distance) C4'-P energy: -160.001 bonds (distance) P-C4' energy: -170.832 flat angles C4'-P-C4' energy: -174.971 flat angles P-C4'-P energy: -111.514 tors. eta vs tors. theta energy: -189.171 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: 3 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2427.191831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.191831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.191831 (E_RNA) where: Base-Base interactions energy: -1642.928 where: short stacking energy: -744.287 Base-Backbone interact. energy: -1.219 local terms energy: -783.044776 where: bonds (distance) C4'-P energy: -134.179 bonds (distance) P-C4' energy: -159.858 flat angles C4'-P-C4' energy: -172.127 flat angles P-C4'-P energy: -105.574 tors. eta vs tors. theta energy: -211.308 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: 9 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2335.004039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.004039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.004039 (E_RNA) where: Base-Base interactions energy: -1592.435 where: short stacking energy: -700.590 Base-Backbone interact. energy: -2.320 local terms energy: -740.249754 where: bonds (distance) C4'-P energy: -142.330 bonds (distance) P-C4' energy: -152.052 flat angles C4'-P-C4' energy: -165.867 flat angles P-C4'-P energy: -102.388 tors. eta vs tors. theta energy: -177.613 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: 5 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2125.908252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.908252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.908252 (E_RNA) where: Base-Base interactions energy: -1422.877 where: short stacking energy: -625.318 Base-Backbone interact. energy: -5.819 local terms energy: -697.211947 where: bonds (distance) C4'-P energy: -135.955 bonds (distance) P-C4' energy: -134.435 flat angles C4'-P-C4' energy: -162.779 flat angles P-C4'-P energy: -111.735 tors. eta vs tors. theta energy: -152.308 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: 6, replica: 6 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1829.993426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.993426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.993426 (E_RNA) where: Base-Base interactions energy: -1180.230 where: short stacking energy: -534.414 Base-Backbone interact. energy: 0.167 local terms energy: -649.930469 where: bonds (distance) C4'-P energy: -127.027 bonds (distance) P-C4' energy: -146.151 flat angles C4'-P-C4' energy: -146.131 flat angles P-C4'-P energy: -97.742 tors. eta vs tors. theta energy: -132.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1705.832719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.832719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.832719 (E_RNA) where: Base-Base interactions energy: -1077.738 where: short stacking energy: -450.086 Base-Backbone interact. energy: -1.832 local terms energy: -626.262757 where: bonds (distance) C4'-P energy: -156.004 bonds (distance) P-C4' energy: -154.103 flat angles C4'-P-C4' energy: -140.219 flat angles P-C4'-P energy: -94.080 tors. eta vs tors. theta energy: -81.857 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: 8, replica: 8 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1288.452673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.452673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.452673 (E_RNA) where: Base-Base interactions energy: -764.095 where: short stacking energy: -385.443 Base-Backbone interact. energy: -1.461 local terms energy: -522.897185 where: bonds (distance) C4'-P energy: -113.707 bonds (distance) P-C4' energy: -139.742 flat angles C4'-P-C4' energy: -134.281 flat angles P-C4'-P energy: -82.786 tors. eta vs tors. theta energy: -52.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1130.530282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.530282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.530282 (E_RNA) where: Base-Base interactions energy: -629.561 where: short stacking energy: -341.399 Base-Backbone interact. energy: 6.997 local terms energy: -507.966352 where: bonds (distance) C4'-P energy: -135.020 bonds (distance) P-C4' energy: -156.113 flat angles C4'-P-C4' energy: -116.069 flat angles P-C4'-P energy: -64.939 tors. eta vs tors. theta energy: -35.824 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: 10 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -625.582141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.582141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.582141 (E_RNA) where: Base-Base interactions energy: -217.111 where: short stacking energy: -173.707 Base-Backbone interact. energy: -0.391 local terms energy: -408.079377 where: bonds (distance) C4'-P energy: -117.114 bonds (distance) P-C4' energy: -145.512 flat angles C4'-P-C4' energy: -112.102 flat angles P-C4'-P energy: -73.526 tors. eta vs tors. theta energy: 40.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2713.467613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.467613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.467613 (E_RNA) where: Base-Base interactions energy: -1789.858 where: short stacking energy: -835.512 Base-Backbone interact. energy: -2.484 local terms energy: -921.125699 where: bonds (distance) C4'-P energy: -177.565 bonds (distance) P-C4' energy: -176.392 flat angles C4'-P-C4' energy: -189.490 flat angles P-C4'-P energy: -127.027 tors. eta vs tors. theta energy: -250.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2593.802957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.802957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.802957 (E_RNA) where: Base-Base interactions energy: -1781.269 where: short stacking energy: -729.748 Base-Backbone interact. energy: -4.182 local terms energy: -808.352371 where: bonds (distance) C4'-P energy: -148.751 bonds (distance) P-C4' energy: -173.560 flat angles C4'-P-C4' energy: -172.587 flat angles P-C4'-P energy: -131.763 tors. eta vs tors. theta energy: -181.690 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: 3, replica: 3 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2417.039552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.039552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.039552 (E_RNA) where: Base-Base interactions energy: -1617.215 where: short stacking energy: -732.417 Base-Backbone interact. energy: -6.022 local terms energy: -793.802823 where: bonds (distance) C4'-P energy: -142.117 bonds (distance) P-C4' energy: -156.278 flat angles C4'-P-C4' energy: -180.611 flat angles P-C4'-P energy: -119.671 tors. eta vs tors. theta energy: -195.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2330.140400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.140400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.140400 (E_RNA) where: Base-Base interactions energy: -1591.770 where: short stacking energy: -663.040 Base-Backbone interact. energy: -1.841 local terms energy: -736.529377 where: bonds (distance) C4'-P energy: -155.131 bonds (distance) P-C4' energy: -142.449 flat angles C4'-P-C4' energy: -161.427 flat angles P-C4'-P energy: -104.738 tors. eta vs tors. theta energy: -172.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2079.550309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.550309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.550309 (E_RNA) where: Base-Base interactions energy: -1337.627 where: short stacking energy: -585.647 Base-Backbone interact. energy: -2.353 local terms energy: -739.570699 where: bonds (distance) C4'-P energy: -158.130 bonds (distance) P-C4' energy: -158.346 flat angles C4'-P-C4' energy: -164.041 flat angles P-C4'-P energy: -113.225 tors. eta vs tors. theta energy: -145.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1799.615181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.615181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.615181 (E_RNA) where: Base-Base interactions energy: -1181.287 where: short stacking energy: -520.556 Base-Backbone interact. energy: 0.774 local terms energy: -619.102354 where: bonds (distance) C4'-P energy: -139.903 bonds (distance) P-C4' energy: -122.060 flat angles C4'-P-C4' energy: -139.437 flat angles P-C4'-P energy: -102.772 tors. eta vs tors. theta energy: -114.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1756.150486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.150486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.150486 (E_RNA) where: Base-Base interactions energy: -1163.237 where: short stacking energy: -486.233 Base-Backbone interact. energy: -2.342 local terms energy: -590.571615 where: bonds (distance) C4'-P energy: -129.205 bonds (distance) P-C4' energy: -132.331 flat angles C4'-P-C4' energy: -133.672 flat angles P-C4'-P energy: -90.430 tors. eta vs tors. theta energy: -104.934 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: 8, replica: 8 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1282.280733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.280733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.280733 (E_RNA) where: Base-Base interactions energy: -736.205 where: short stacking energy: -379.063 Base-Backbone interact. energy: -1.028 local terms energy: -545.047894 where: bonds (distance) C4'-P energy: -126.221 bonds (distance) P-C4' energy: -158.879 flat angles C4'-P-C4' energy: -133.532 flat angles P-C4'-P energy: -91.639 tors. eta vs tors. theta energy: -34.777 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: 7 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1100.271194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.271194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.271194 (E_RNA) where: Base-Base interactions energy: -604.198 where: short stacking energy: -302.589 Base-Backbone interact. energy: -7.611 local terms energy: -488.462019 where: bonds (distance) C4'-P energy: -129.276 bonds (distance) P-C4' energy: -132.126 flat angles C4'-P-C4' energy: -127.094 flat angles P-C4'-P energy: -82.705 tors. eta vs tors. theta energy: -17.260 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: 10 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -624.882996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.882996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.882996 (E_RNA) where: Base-Base interactions energy: -196.729 where: short stacking energy: -149.317 Base-Backbone interact. energy: 1.267 local terms energy: -429.420800 where: bonds (distance) C4'-P energy: -143.969 bonds (distance) P-C4' energy: -151.948 flat angles C4'-P-C4' energy: -94.018 flat angles P-C4'-P energy: -65.636 tors. eta vs tors. theta energy: 26.152 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: 1 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2704.081386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.081386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.081386 (E_RNA) where: Base-Base interactions energy: -1785.570 where: short stacking energy: -818.300 Base-Backbone interact. energy: -3.143 local terms energy: -915.368354 where: bonds (distance) C4'-P energy: -176.901 bonds (distance) P-C4' energy: -164.078 flat angles C4'-P-C4' energy: -198.012 flat angles P-C4'-P energy: -127.746 tors. eta vs tors. theta energy: -248.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2657.720522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.720522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.720522 (E_RNA) where: Base-Base interactions energy: -1838.173 where: short stacking energy: -746.552 Base-Backbone interact. energy: -6.274 local terms energy: -813.273424 where: bonds (distance) C4'-P energy: -161.098 bonds (distance) P-C4' energy: -156.698 flat angles C4'-P-C4' energy: -180.189 flat angles P-C4'-P energy: -117.572 tors. eta vs tors. theta energy: -197.717 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: 3, replica: 3 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2447.308424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.308424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.308424 (E_RNA) where: Base-Base interactions energy: -1649.164 where: short stacking energy: -754.036 Base-Backbone interact. energy: -0.839 local terms energy: -797.305434 where: bonds (distance) C4'-P energy: -147.453 bonds (distance) P-C4' energy: -168.318 flat angles C4'-P-C4' energy: -172.730 flat angles P-C4'-P energy: -95.663 tors. eta vs tors. theta energy: -213.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2281.855900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.855900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.855900 (E_RNA) where: Base-Base interactions energy: -1559.359 where: short stacking energy: -677.058 Base-Backbone interact. energy: -0.278 local terms energy: -722.218833 where: bonds (distance) C4'-P energy: -142.005 bonds (distance) P-C4' energy: -149.019 flat angles C4'-P-C4' energy: -150.749 flat angles P-C4'-P energy: -113.173 tors. eta vs tors. theta energy: -167.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2068.065579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.065579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.065579 (E_RNA) where: Base-Base interactions energy: -1365.713 where: short stacking energy: -575.447 Base-Backbone interact. energy: 2.115 local terms energy: -704.467394 where: bonds (distance) C4'-P energy: -142.171 bonds (distance) P-C4' energy: -173.280 flat angles C4'-P-C4' energy: -162.290 flat angles P-C4'-P energy: -106.289 tors. eta vs tors. theta energy: -120.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1808.313840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.313840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.313840 (E_RNA) where: Base-Base interactions energy: -1171.142 where: short stacking energy: -534.337 Base-Backbone interact. energy: -3.745 local terms energy: -633.426498 where: bonds (distance) C4'-P energy: -133.523 bonds (distance) P-C4' energy: -138.277 flat angles C4'-P-C4' energy: -144.315 flat angles P-C4'-P energy: -99.588 tors. eta vs tors. theta energy: -117.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1695.449069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.449069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.449069 (E_RNA) where: Base-Base interactions energy: -1099.305 where: short stacking energy: -509.998 Base-Backbone interact. energy: -1.744 local terms energy: -594.400375 where: bonds (distance) C4'-P energy: -121.081 bonds (distance) P-C4' energy: -135.578 flat angles C4'-P-C4' energy: -150.516 flat angles P-C4'-P energy: -74.576 tors. eta vs tors. theta energy: -112.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1261.323399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.323399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.323399 (E_RNA) where: Base-Base interactions energy: -699.984 where: short stacking energy: -393.763 Base-Backbone interact. energy: 1.194 local terms energy: -562.534117 where: bonds (distance) C4'-P energy: -139.391 bonds (distance) P-C4' energy: -132.842 flat angles C4'-P-C4' energy: -142.505 flat angles P-C4'-P energy: -84.508 tors. eta vs tors. theta energy: -63.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1073.027334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.027334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.027334 (E_RNA) where: Base-Base interactions energy: -583.552 where: short stacking energy: -317.978 Base-Backbone interact. energy: -2.111 local terms energy: -487.364733 where: bonds (distance) C4'-P energy: -124.822 bonds (distance) P-C4' energy: -137.288 flat angles C4'-P-C4' energy: -147.688 flat angles P-C4'-P energy: -52.138 tors. eta vs tors. theta energy: -25.429 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: 10 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -615.952640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.952640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.952640 (E_RNA) where: Base-Base interactions energy: -222.032 where: short stacking energy: -173.957 Base-Backbone interact. energy: -0.280 local terms energy: -393.640984 where: bonds (distance) C4'-P energy: -132.636 bonds (distance) P-C4' energy: -127.041 flat angles C4'-P-C4' energy: -104.748 flat angles P-C4'-P energy: -54.737 tors. eta vs tors. theta energy: 25.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2713.414434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.414434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.414434 (E_RNA) where: Base-Base interactions energy: -1820.979 where: short stacking energy: -843.538 Base-Backbone interact. energy: -1.727 local terms energy: -890.708359 where: bonds (distance) C4'-P energy: -158.086 bonds (distance) P-C4' energy: -167.285 flat angles C4'-P-C4' energy: -190.964 flat angles P-C4'-P energy: -125.724 tors. eta vs tors. theta energy: -248.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2625.133901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.133901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.133901 (E_RNA) where: Base-Base interactions energy: -1789.723 where: short stacking energy: -756.571 Base-Backbone interact. energy: -0.623 local terms energy: -834.788715 where: bonds (distance) C4'-P energy: -157.630 bonds (distance) P-C4' energy: -165.519 flat angles C4'-P-C4' energy: -181.674 flat angles P-C4'-P energy: -115.236 tors. eta vs tors. theta energy: -214.731 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: 3 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2446.545622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.545622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.545622 (E_RNA) where: Base-Base interactions energy: -1664.560 where: short stacking energy: -755.455 Base-Backbone interact. energy: -7.003 local terms energy: -774.982263 where: bonds (distance) C4'-P energy: -144.336 bonds (distance) P-C4' energy: -118.270 flat angles C4'-P-C4' energy: -175.023 flat angles P-C4'-P energy: -131.780 tors. eta vs tors. theta energy: -205.573 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: 9 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2326.583357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.583357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.583357 (E_RNA) where: Base-Base interactions energy: -1588.944 where: short stacking energy: -689.226 Base-Backbone interact. energy: 3.867 local terms energy: -741.506298 where: bonds (distance) C4'-P energy: -137.817 bonds (distance) P-C4' energy: -159.604 flat angles C4'-P-C4' energy: -168.577 flat angles P-C4'-P energy: -100.715 tors. eta vs tors. theta energy: -174.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2024.596780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.596780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.596780 (E_RNA) where: Base-Base interactions energy: -1331.234 where: short stacking energy: -588.287 Base-Backbone interact. energy: 0.165 local terms energy: -693.527753 where: bonds (distance) C4'-P energy: -134.009 bonds (distance) P-C4' energy: -140.626 flat angles C4'-P-C4' energy: -166.700 flat angles P-C4'-P energy: -102.436 tors. eta vs tors. theta energy: -149.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1802.325584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.325584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.325584 (E_RNA) where: Base-Base interactions energy: -1180.762 where: short stacking energy: -514.955 Base-Backbone interact. energy: 2.789 local terms energy: -624.352900 where: bonds (distance) C4'-P energy: -129.432 bonds (distance) P-C4' energy: -143.244 flat angles C4'-P-C4' energy: -145.292 flat angles P-C4'-P energy: -86.189 tors. eta vs tors. theta energy: -120.195 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: 6 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1628.744729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.744729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.744729 (E_RNA) where: Base-Base interactions energy: -1005.852 where: short stacking energy: -517.159 Base-Backbone interact. energy: -1.372 local terms energy: -621.519927 where: bonds (distance) C4'-P energy: -130.972 bonds (distance) P-C4' energy: -126.382 flat angles C4'-P-C4' energy: -161.663 flat angles P-C4'-P energy: -78.683 tors. eta vs tors. theta energy: -123.820 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: 8, replica: 8 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1315.616092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.616092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.616092 (E_RNA) where: Base-Base interactions energy: -774.326 where: short stacking energy: -393.859 Base-Backbone interact. energy: -0.593 local terms energy: -540.696523 where: bonds (distance) C4'-P energy: -120.120 bonds (distance) P-C4' energy: -146.889 flat angles C4'-P-C4' energy: -145.230 flat angles P-C4'-P energy: -80.610 tors. eta vs tors. theta energy: -47.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1103.028633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.028633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.028633 (E_RNA) where: Base-Base interactions energy: -602.715 where: short stacking energy: -291.943 Base-Backbone interact. energy: -0.666 local terms energy: -499.647076 where: bonds (distance) C4'-P energy: -129.788 bonds (distance) P-C4' energy: -134.425 flat angles C4'-P-C4' energy: -131.633 flat angles P-C4'-P energy: -76.239 tors. eta vs tors. theta energy: -27.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -620.693466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.693466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.693466 (E_RNA) where: Base-Base interactions energy: -232.639 where: short stacking energy: -172.985 Base-Backbone interact. energy: 10.466 local terms energy: -398.521029 where: bonds (distance) C4'-P energy: -130.312 bonds (distance) P-C4' energy: -139.045 flat angles C4'-P-C4' energy: -101.362 flat angles P-C4'-P energy: -58.766 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: 1, replica: 1 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2690.908880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.908880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.908880 (E_RNA) where: Base-Base interactions energy: -1800.328 where: short stacking energy: -830.078 Base-Backbone interact. energy: -3.659 local terms energy: -886.921998 where: bonds (distance) C4'-P energy: -167.563 bonds (distance) P-C4' energy: -172.940 flat angles C4'-P-C4' energy: -160.989 flat angles P-C4'-P energy: -143.747 tors. eta vs tors. theta energy: -241.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2607.160541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.160541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.160541 (E_RNA) where: Base-Base interactions energy: -1800.777 where: short stacking energy: -761.225 Base-Backbone interact. energy: -2.470 local terms energy: -803.914135 where: bonds (distance) C4'-P energy: -157.610 bonds (distance) P-C4' energy: -158.910 flat angles C4'-P-C4' energy: -180.923 flat angles P-C4'-P energy: -106.217 tors. eta vs tors. theta energy: -200.253 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: 3, replica: 3 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2443.749961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.749961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.749961 (E_RNA) where: Base-Base interactions energy: -1642.078 where: short stacking energy: -717.882 Base-Backbone interact. energy: -5.501 local terms energy: -796.170259 where: bonds (distance) C4'-P energy: -148.261 bonds (distance) P-C4' energy: -156.179 flat angles C4'-P-C4' energy: -180.203 flat angles P-C4'-P energy: -112.089 tors. eta vs tors. theta energy: -199.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2357.612631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.612631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.612631 (E_RNA) where: Base-Base interactions energy: -1581.938 where: short stacking energy: -670.045 Base-Backbone interact. energy: 0.850 local terms energy: -776.524184 where: bonds (distance) C4'-P energy: -160.794 bonds (distance) P-C4' energy: -148.101 flat angles C4'-P-C4' energy: -183.991 flat angles P-C4'-P energy: -107.458 tors. eta vs tors. theta energy: -176.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2002.315785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.315785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.315785 (E_RNA) where: Base-Base interactions energy: -1310.894 where: short stacking energy: -553.751 Base-Backbone interact. energy: -3.243 local terms energy: -688.178440 where: bonds (distance) C4'-P energy: -130.979 bonds (distance) P-C4' energy: -151.718 flat angles C4'-P-C4' energy: -173.401 flat angles P-C4'-P energy: -102.032 tors. eta vs tors. theta energy: -130.048 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: 4 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1783.220084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.220084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.220084 (E_RNA) where: Base-Base interactions energy: -1140.993 where: short stacking energy: -546.927 Base-Backbone interact. energy: -3.705 local terms energy: -638.521373 where: bonds (distance) C4'-P energy: -136.250 bonds (distance) P-C4' energy: -128.929 flat angles C4'-P-C4' energy: -150.050 flat angles P-C4'-P energy: -106.406 tors. eta vs tors. theta energy: -116.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1514.548654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.548654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.548654 (E_RNA) where: Base-Base interactions energy: -927.723 where: short stacking energy: -433.140 Base-Backbone interact. energy: -2.346 local terms energy: -584.479623 where: bonds (distance) C4'-P energy: -131.067 bonds (distance) P-C4' energy: -155.722 flat angles C4'-P-C4' energy: -136.612 flat angles P-C4'-P energy: -88.648 tors. eta vs tors. theta energy: -72.430 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: 8 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1263.360131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.360131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.360131 (E_RNA) where: Base-Base interactions energy: -747.732 where: short stacking energy: -353.219 Base-Backbone interact. energy: 0.631 local terms energy: -516.259105 where: bonds (distance) C4'-P energy: -123.193 bonds (distance) P-C4' energy: -148.037 flat angles C4'-P-C4' energy: -124.899 flat angles P-C4'-P energy: -66.383 tors. eta vs tors. theta energy: -53.748 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: 7 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1183.044130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.044130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.044130 (E_RNA) where: Base-Base interactions energy: -690.968 where: short stacking energy: -333.493 Base-Backbone interact. energy: 1.474 local terms energy: -493.550573 where: bonds (distance) C4'-P energy: -118.180 bonds (distance) P-C4' energy: -130.767 flat angles C4'-P-C4' energy: -121.092 flat angles P-C4'-P energy: -79.670 tors. eta vs tors. theta energy: -43.841 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: 10 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -624.386586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.386586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.386586 (E_RNA) where: Base-Base interactions energy: -243.100 where: short stacking energy: -184.790 Base-Backbone interact. energy: 0.027 local terms energy: -381.314113 where: bonds (distance) C4'-P energy: -106.740 bonds (distance) P-C4' energy: -137.167 flat angles C4'-P-C4' energy: -108.097 flat angles P-C4'-P energy: -46.908 tors. eta vs tors. theta energy: 17.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2695.220137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.220137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.220137 (E_RNA) where: Base-Base interactions energy: -1807.421 where: short stacking energy: -809.180 Base-Backbone interact. energy: -3.510 local terms energy: -884.289922 where: bonds (distance) C4'-P energy: -176.422 bonds (distance) P-C4' energy: -161.632 flat angles C4'-P-C4' energy: -182.589 flat angles P-C4'-P energy: -130.121 tors. eta vs tors. theta energy: -233.527 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: 282 Temperature: 0.950000 Total energy: -2614.432516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.432516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.432516 (E_RNA) where: Base-Base interactions energy: -1793.360 where: short stacking energy: -753.383 Base-Backbone interact. energy: -2.871 local terms energy: -818.200791 where: bonds (distance) C4'-P energy: -159.388 bonds (distance) P-C4' energy: -149.238 flat angles C4'-P-C4' energy: -184.011 flat angles P-C4'-P energy: -125.938 tors. eta vs tors. theta energy: -199.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2391.893236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.893236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.893236 (E_RNA) where: Base-Base interactions energy: -1609.075 where: short stacking energy: -723.852 Base-Backbone interact. energy: 4.353 local terms energy: -787.171262 where: bonds (distance) C4'-P energy: -153.949 bonds (distance) P-C4' energy: -148.513 flat angles C4'-P-C4' energy: -179.002 flat angles P-C4'-P energy: -107.937 tors. eta vs tors. theta energy: -197.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2393.794193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.794193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.794193 (E_RNA) where: Base-Base interactions energy: -1652.078 where: short stacking energy: -721.715 Base-Backbone interact. energy: 3.928 local terms energy: -745.644606 where: bonds (distance) C4'-P energy: -131.562 bonds (distance) P-C4' energy: -152.126 flat angles C4'-P-C4' energy: -163.576 flat angles P-C4'-P energy: -112.590 tors. eta vs tors. theta energy: -185.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2078.302611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.302611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.302611 (E_RNA) where: Base-Base interactions energy: -1372.215 where: short stacking energy: -579.918 Base-Backbone interact. energy: 1.419 local terms energy: -707.505793 where: bonds (distance) C4'-P energy: -143.865 bonds (distance) P-C4' energy: -160.646 flat angles C4'-P-C4' energy: -159.942 flat angles P-C4'-P energy: -102.707 tors. eta vs tors. theta energy: -140.346 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: 6, replica: 4 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1733.569033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.569033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.569033 (E_RNA) where: Base-Base interactions energy: -1122.751 where: short stacking energy: -529.114 Base-Backbone interact. energy: -3.006 local terms energy: -607.812548 where: bonds (distance) C4'-P energy: -136.695 bonds (distance) P-C4' energy: -123.404 flat angles C4'-P-C4' energy: -148.595 flat angles P-C4'-P energy: -101.012 tors. eta vs tors. theta energy: -98.107 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: 6 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1516.578670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.578670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.578670 (E_RNA) where: Base-Base interactions energy: -895.487 where: short stacking energy: -442.960 Base-Backbone interact. energy: -3.466 local terms energy: -617.626405 where: bonds (distance) C4'-P energy: -143.228 bonds (distance) P-C4' energy: -150.532 flat angles C4'-P-C4' energy: -138.030 flat angles P-C4'-P energy: -84.380 tors. eta vs tors. theta energy: -101.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1270.479715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.479715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.479715 (E_RNA) where: Base-Base interactions energy: -726.785 where: short stacking energy: -365.025 Base-Backbone interact. energy: 3.964 local terms energy: -547.659012 where: bonds (distance) C4'-P energy: -142.288 bonds (distance) P-C4' energy: -142.531 flat angles C4'-P-C4' energy: -120.400 flat angles P-C4'-P energy: -88.018 tors. eta vs tors. theta energy: -54.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1239.826551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.826551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.826551 (E_RNA) where: Base-Base interactions energy: -725.081 where: short stacking energy: -354.474 Base-Backbone interact. energy: 2.086 local terms energy: -516.831076 where: bonds (distance) C4'-P energy: -112.703 bonds (distance) P-C4' energy: -142.218 flat angles C4'-P-C4' energy: -128.669 flat angles P-C4'-P energy: -78.753 tors. eta vs tors. theta energy: -54.489 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: 10 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -617.620725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.620725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.620725 (E_RNA) where: Base-Base interactions energy: -227.496 where: short stacking energy: -174.789 Base-Backbone interact. energy: 1.504 local terms energy: -391.628713 where: bonds (distance) C4'-P energy: -118.637 bonds (distance) P-C4' energy: -126.995 flat angles C4'-P-C4' energy: -105.736 flat angles P-C4'-P energy: -69.702 tors. eta vs tors. theta energy: 29.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2684.646332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.646332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.646332 (E_RNA) where: Base-Base interactions energy: -1782.900 where: short stacking energy: -860.010 Base-Backbone interact. energy: -4.179 local terms energy: -897.567746 where: bonds (distance) C4'-P energy: -161.376 bonds (distance) P-C4' energy: -179.983 flat angles C4'-P-C4' energy: -181.319 flat angles P-C4'-P energy: -119.027 tors. eta vs tors. theta energy: -255.863 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: 2 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2603.371933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.371933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.371933 (E_RNA) where: Base-Base interactions energy: -1804.960 where: short stacking energy: -767.736 Base-Backbone interact. energy: -0.302 local terms energy: -798.110390 where: bonds (distance) C4'-P energy: -146.341 bonds (distance) P-C4' energy: -167.721 flat angles C4'-P-C4' energy: -169.510 flat angles P-C4'-P energy: -111.891 tors. eta vs tors. theta energy: -202.647 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: 283 Temperature: 1.000000 Total energy: -2418.952570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.952570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.952570 (E_RNA) where: Base-Base interactions energy: -1633.611 where: short stacking energy: -701.282 Base-Backbone interact. energy: -1.538 local terms energy: -783.804135 where: bonds (distance) C4'-P energy: -150.846 bonds (distance) P-C4' energy: -147.825 flat angles C4'-P-C4' energy: -172.780 flat angles P-C4'-P energy: -116.070 tors. eta vs tors. theta energy: -196.284 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: 9 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2352.013789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.013789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.013789 (E_RNA) where: Base-Base interactions energy: -1646.423 where: short stacking energy: -707.708 Base-Backbone interact. energy: 4.958 local terms energy: -710.549653 where: bonds (distance) C4'-P energy: -132.982 bonds (distance) P-C4' energy: -140.491 flat angles C4'-P-C4' energy: -159.862 flat angles P-C4'-P energy: -98.844 tors. eta vs tors. theta energy: -178.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2058.799199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.799199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.799199 (E_RNA) where: Base-Base interactions energy: -1357.840 where: short stacking energy: -598.214 Base-Backbone interact. energy: -0.647 local terms energy: -700.311811 where: bonds (distance) C4'-P energy: -156.417 bonds (distance) P-C4' energy: -142.649 flat angles C4'-P-C4' energy: -155.219 flat angles P-C4'-P energy: -114.432 tors. eta vs tors. theta energy: -131.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1736.547797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.547797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.547797 (E_RNA) where: Base-Base interactions energy: -1136.080 where: short stacking energy: -521.873 Base-Backbone interact. energy: -1.884 local terms energy: -598.583820 where: bonds (distance) C4'-P energy: -113.449 bonds (distance) P-C4' energy: -145.463 flat angles C4'-P-C4' energy: -134.922 flat angles P-C4'-P energy: -101.282 tors. eta vs tors. theta energy: -103.467 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: 6 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1506.593624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.593624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.593624 (E_RNA) where: Base-Base interactions energy: -950.368 where: short stacking energy: -447.667 Base-Backbone interact. energy: 2.470 local terms energy: -558.694900 where: bonds (distance) C4'-P energy: -111.744 bonds (distance) P-C4' energy: -149.436 flat angles C4'-P-C4' energy: -125.437 flat angles P-C4'-P energy: -73.496 tors. eta vs tors. theta energy: -98.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1224.853150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.853150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.853150 (E_RNA) where: Base-Base interactions energy: -731.913 where: short stacking energy: -351.055 Base-Backbone interact. energy: 2.420 local terms energy: -495.360592 where: bonds (distance) C4'-P energy: -125.069 bonds (distance) P-C4' energy: -131.638 flat angles C4'-P-C4' energy: -121.489 flat angles P-C4'-P energy: -75.164 tors. eta vs tors. theta energy: -42.001 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: 7 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1113.565797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.565797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.565797 (E_RNA) where: Base-Base interactions energy: -618.629 where: short stacking energy: -321.055 Base-Backbone interact. energy: -0.938 local terms energy: -493.998454 where: bonds (distance) C4'-P energy: -123.347 bonds (distance) P-C4' energy: -138.254 flat angles C4'-P-C4' energy: -119.405 flat angles P-C4'-P energy: -78.590 tors. eta vs tors. theta energy: -34.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -627.828092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.828092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.828092 (E_RNA) where: Base-Base interactions energy: -209.132 where: short stacking energy: -180.948 Base-Backbone interact. energy: 7.534 local terms energy: -426.229885 where: bonds (distance) C4'-P energy: -134.675 bonds (distance) P-C4' energy: -140.712 flat angles C4'-P-C4' energy: -109.922 flat angles P-C4'-P energy: -66.537 tors. eta vs tors. theta energy: 25.616 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: 1, replica: 1 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2692.353566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.353566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.353566 (E_RNA) where: Base-Base interactions energy: -1810.673 where: short stacking energy: -839.223 Base-Backbone interact. energy: -1.985 local terms energy: -879.694979 where: bonds (distance) C4'-P energy: -161.606 bonds (distance) P-C4' energy: -173.757 flat angles C4'-P-C4' energy: -183.170 flat angles P-C4'-P energy: -125.449 tors. eta vs tors. theta energy: -235.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2597.162850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.162850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.162850 (E_RNA) where: Base-Base interactions energy: -1801.259 where: short stacking energy: -749.081 Base-Backbone interact. energy: -0.394 local terms energy: -795.510214 where: bonds (distance) C4'-P energy: -154.290 bonds (distance) P-C4' energy: -148.490 flat angles C4'-P-C4' energy: -181.853 flat angles P-C4'-P energy: -112.393 tors. eta vs tors. theta energy: -198.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2453.847071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.847071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.847071 (E_RNA) where: Base-Base interactions energy: -1648.838 where: short stacking energy: -719.477 Base-Backbone interact. energy: -0.479 local terms energy: -804.529651 where: bonds (distance) C4'-P energy: -156.168 bonds (distance) P-C4' energy: -155.660 flat angles C4'-P-C4' energy: -173.674 flat angles P-C4'-P energy: -114.519 tors. eta vs tors. theta energy: -204.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2363.410918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.410918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.410918 (E_RNA) where: Base-Base interactions energy: -1606.333 where: short stacking energy: -690.498 Base-Backbone interact. energy: -2.640 local terms energy: -754.437495 where: bonds (distance) C4'-P energy: -158.349 bonds (distance) P-C4' energy: -141.930 flat angles C4'-P-C4' energy: -169.341 flat angles P-C4'-P energy: -108.736 tors. eta vs tors. theta energy: -176.081 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: 5 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1997.355571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.355571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.355571 (E_RNA) where: Base-Base interactions energy: -1337.910 where: short stacking energy: -552.407 Base-Backbone interact. energy: -2.614 local terms energy: -656.832366 where: bonds (distance) C4'-P energy: -139.877 bonds (distance) P-C4' energy: -139.160 flat angles C4'-P-C4' energy: -159.290 flat angles P-C4'-P energy: -94.508 tors. eta vs tors. theta energy: -123.998 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: 6, replica: 4 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1749.028855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.028855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.028855 (E_RNA) where: Base-Base interactions energy: -1113.782 where: short stacking energy: -493.866 Base-Backbone interact. energy: -3.998 local terms energy: -631.249354 where: bonds (distance) C4'-P energy: -138.212 bonds (distance) P-C4' energy: -150.065 flat angles C4'-P-C4' energy: -143.755 flat angles P-C4'-P energy: -86.045 tors. eta vs tors. theta energy: -113.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1433.300099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.300099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.300099 (E_RNA) where: Base-Base interactions energy: -862.671 where: short stacking energy: -442.996 Base-Backbone interact. energy: -1.982 local terms energy: -568.647042 where: bonds (distance) C4'-P energy: -136.837 bonds (distance) P-C4' energy: -146.579 flat angles C4'-P-C4' energy: -126.261 flat angles P-C4'-P energy: -74.831 tors. eta vs tors. theta energy: -84.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1206.145158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.145158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.145158 (E_RNA) where: Base-Base interactions energy: -707.119 where: short stacking energy: -341.114 Base-Backbone interact. energy: 2.617 local terms energy: -501.643776 where: bonds (distance) C4'-P energy: -138.657 bonds (distance) P-C4' energy: -133.703 flat angles C4'-P-C4' energy: -120.054 flat angles P-C4'-P energy: -90.285 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: 9, replica: 7 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1154.203876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.203876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.203876 (E_RNA) where: Base-Base interactions energy: -665.184 where: short stacking energy: -338.471 Base-Backbone interact. energy: -0.227 local terms energy: -488.792534 where: bonds (distance) C4'-P energy: -123.884 bonds (distance) P-C4' energy: -128.219 flat angles C4'-P-C4' energy: -120.710 flat angles P-C4'-P energy: -64.455 tors. eta vs tors. theta energy: -51.524 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: 10 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -585.322660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.322660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.322660 (E_RNA) where: Base-Base interactions energy: -192.167 where: short stacking energy: -163.076 Base-Backbone interact. energy: 5.243 local terms energy: -398.398805 where: bonds (distance) C4'-P energy: -136.885 bonds (distance) P-C4' energy: -125.498 flat angles C4'-P-C4' energy: -111.385 flat angles P-C4'-P energy: -53.665 tors. eta vs tors. theta energy: 29.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2713.231828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.231828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.231828 (E_RNA) where: Base-Base interactions energy: -1812.670 where: short stacking energy: -833.185 Base-Backbone interact. energy: -1.221 local terms energy: -899.340620 where: bonds (distance) C4'-P energy: -163.257 bonds (distance) P-C4' energy: -171.791 flat angles C4'-P-C4' energy: -185.015 flat angles P-C4'-P energy: -134.401 tors. eta vs tors. theta energy: -244.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2631.660567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.660567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.660567 (E_RNA) where: Base-Base interactions energy: -1794.235 where: short stacking energy: -762.337 Base-Backbone interact. energy: -7.173 local terms energy: -830.253096 where: bonds (distance) C4'-P energy: -154.289 bonds (distance) P-C4' energy: -158.075 flat angles C4'-P-C4' energy: -188.745 flat angles P-C4'-P energy: -121.226 tors. eta vs tors. theta energy: -207.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2444.303336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.303336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.303336 (E_RNA) where: Base-Base interactions energy: -1686.715 where: short stacking energy: -733.440 Base-Backbone interact. energy: -3.609 local terms energy: -753.980195 where: bonds (distance) C4'-P energy: -149.169 bonds (distance) P-C4' energy: -153.981 flat angles C4'-P-C4' energy: -169.020 flat angles P-C4'-P energy: -81.746 tors. eta vs tors. theta energy: -200.064 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: 9 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2285.308977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.308977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.308977 (E_RNA) where: Base-Base interactions energy: -1574.544 where: short stacking energy: -663.379 Base-Backbone interact. energy: -6.103 local terms energy: -704.661904 where: bonds (distance) C4'-P energy: -130.214 bonds (distance) P-C4' energy: -149.076 flat angles C4'-P-C4' energy: -140.316 flat angles P-C4'-P energy: -109.081 tors. eta vs tors. theta energy: -175.975 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: 5, replica: 5 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1996.363504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.363504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.363504 (E_RNA) where: Base-Base interactions energy: -1316.066 where: short stacking energy: -594.449 Base-Backbone interact. energy: -1.171 local terms energy: -679.126362 where: bonds (distance) C4'-P energy: -142.575 bonds (distance) P-C4' energy: -164.411 flat angles C4'-P-C4' energy: -160.796 flat angles P-C4'-P energy: -76.345 tors. eta vs tors. theta energy: -134.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1717.613063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.613063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.613063 (E_RNA) where: Base-Base interactions energy: -1097.184 where: short stacking energy: -487.090 Base-Backbone interact. energy: -2.370 local terms energy: -618.058769 where: bonds (distance) C4'-P energy: -138.300 bonds (distance) P-C4' energy: -150.363 flat angles C4'-P-C4' energy: -132.995 flat angles P-C4'-P energy: -97.613 tors. eta vs tors. theta energy: -98.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1502.223890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.223890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.223890 (E_RNA) where: Base-Base interactions energy: -932.893 where: short stacking energy: -445.932 Base-Backbone interact. energy: -2.087 local terms energy: -567.244228 where: bonds (distance) C4'-P energy: -137.819 bonds (distance) P-C4' energy: -148.189 flat angles C4'-P-C4' energy: -133.503 flat angles P-C4'-P energy: -70.781 tors. eta vs tors. theta energy: -76.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1196.712372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.712372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.712372 (E_RNA) where: Base-Base interactions energy: -689.909 where: short stacking energy: -356.466 Base-Backbone interact. energy: -1.063 local terms energy: -505.740394 where: bonds (distance) C4'-P energy: -135.279 bonds (distance) P-C4' energy: -139.511 flat angles C4'-P-C4' energy: -135.183 flat angles P-C4'-P energy: -47.388 tors. eta vs tors. theta energy: -48.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1118.187560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.187560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.187560 (E_RNA) where: Base-Base interactions energy: -639.900 where: short stacking energy: -325.432 Base-Backbone interact. energy: 8.967 local terms energy: -487.254026 where: bonds (distance) C4'-P energy: -127.600 bonds (distance) P-C4' energy: -145.153 flat angles C4'-P-C4' energy: -102.188 flat angles P-C4'-P energy: -79.938 tors. eta vs tors. theta energy: -32.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -637.850641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.850641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.850641 (E_RNA) where: Base-Base interactions energy: -242.581 where: short stacking energy: -216.928 Base-Backbone interact. energy: 9.822 local terms energy: -405.092256 where: bonds (distance) C4'-P energy: -134.806 bonds (distance) P-C4' energy: -137.214 flat angles C4'-P-C4' energy: -103.681 flat angles P-C4'-P energy: -54.800 tors. eta vs tors. theta energy: 25.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2712.487373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.487373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.487373 (E_RNA) where: Base-Base interactions energy: -1810.457 where: short stacking energy: -828.947 Base-Backbone interact. energy: -2.491 local terms energy: -899.540001 where: bonds (distance) C4'-P energy: -180.010 bonds (distance) P-C4' energy: -158.021 flat angles C4'-P-C4' energy: -184.063 flat angles P-C4'-P energy: -138.595 tors. eta vs tors. theta energy: -238.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2603.305988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.305988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.305988 (E_RNA) where: Base-Base interactions energy: -1814.940 where: short stacking energy: -782.053 Base-Backbone interact. energy: -0.054 local terms energy: -788.312262 where: bonds (distance) C4'-P energy: -133.782 bonds (distance) P-C4' energy: -159.351 flat angles C4'-P-C4' energy: -185.796 flat angles P-C4'-P energy: -108.414 tors. eta vs tors. theta energy: -200.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2486.410164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.410164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.410164 (E_RNA) where: Base-Base interactions energy: -1684.864 where: short stacking energy: -717.893 Base-Backbone interact. energy: -1.232 local terms energy: -800.313974 where: bonds (distance) C4'-P energy: -149.453 bonds (distance) P-C4' energy: -147.872 flat angles C4'-P-C4' energy: -179.823 flat angles P-C4'-P energy: -107.813 tors. eta vs tors. theta energy: -215.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2267.001790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.001790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.001790 (E_RNA) where: Base-Base interactions energy: -1562.910 where: short stacking energy: -665.217 Base-Backbone interact. energy: 1.437 local terms energy: -705.528588 where: bonds (distance) C4'-P energy: -122.929 bonds (distance) P-C4' energy: -142.981 flat angles C4'-P-C4' energy: -172.489 flat angles P-C4'-P energy: -95.608 tors. eta vs tors. theta energy: -171.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1970.828982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.828982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.828982 (E_RNA) where: Base-Base interactions energy: -1271.169 where: short stacking energy: -563.044 Base-Backbone interact. energy: -2.357 local terms energy: -697.302613 where: bonds (distance) C4'-P energy: -158.534 bonds (distance) P-C4' energy: -134.513 flat angles C4'-P-C4' energy: -150.194 flat angles P-C4'-P energy: -112.227 tors. eta vs tors. theta energy: -141.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1749.195632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.195632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.195632 (E_RNA) where: Base-Base interactions energy: -1101.918 where: short stacking energy: -498.657 Base-Backbone interact. energy: -3.433 local terms energy: -643.845401 where: bonds (distance) C4'-P energy: -141.621 bonds (distance) P-C4' energy: -138.874 flat angles C4'-P-C4' energy: -153.077 flat angles P-C4'-P energy: -100.271 tors. eta vs tors. theta energy: -110.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1547.068463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.068463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.068463 (E_RNA) where: Base-Base interactions energy: -981.054 where: short stacking energy: -474.754 Base-Backbone interact. energy: 0.268 local terms energy: -566.282342 where: bonds (distance) C4'-P energy: -126.119 bonds (distance) P-C4' energy: -133.184 flat angles C4'-P-C4' energy: -148.110 flat angles P-C4'-P energy: -79.026 tors. eta vs tors. theta energy: -79.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1288.242766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.242766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.242766 (E_RNA) where: Base-Base interactions energy: -765.916 where: short stacking energy: -382.460 Base-Backbone interact. energy: -1.047 local terms energy: -521.280228 where: bonds (distance) C4'-P energy: -125.811 bonds (distance) P-C4' energy: -147.166 flat angles C4'-P-C4' energy: -122.251 flat angles P-C4'-P energy: -86.394 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: 7 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1060.252069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.252069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.252069 (E_RNA) where: Base-Base interactions energy: -591.205 where: short stacking energy: -304.430 Base-Backbone interact. energy: -2.157 local terms energy: -466.889306 where: bonds (distance) C4'-P energy: -132.485 bonds (distance) P-C4' energy: -120.846 flat angles C4'-P-C4' energy: -123.855 flat angles P-C4'-P energy: -59.540 tors. eta vs tors. theta energy: -30.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -633.646554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.646554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.646554 (E_RNA) where: Base-Base interactions energy: -257.322 where: short stacking energy: -188.840 Base-Backbone interact. energy: 0.754 local terms energy: -377.078589 where: bonds (distance) C4'-P energy: -133.033 bonds (distance) P-C4' energy: -129.472 flat angles C4'-P-C4' energy: -102.814 flat angles P-C4'-P energy: -50.826 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: 1, replica: 1 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2709.967893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.967893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.967893 (E_RNA) where: Base-Base interactions energy: -1835.749 where: short stacking energy: -813.977 Base-Backbone interact. energy: 0.632 local terms energy: -874.851343 where: bonds (distance) C4'-P energy: -146.080 bonds (distance) P-C4' energy: -183.069 flat angles C4'-P-C4' energy: -182.642 flat angles P-C4'-P energy: -117.045 tors. eta vs tors. theta energy: -246.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2651.742092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.742092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.742092 (E_RNA) where: Base-Base interactions energy: -1831.079 where: short stacking energy: -778.454 Base-Backbone interact. energy: 1.232 local terms energy: -821.895793 where: bonds (distance) C4'-P energy: -148.096 bonds (distance) P-C4' energy: -166.311 flat angles C4'-P-C4' energy: -195.480 flat angles P-C4'-P energy: -118.598 tors. eta vs tors. theta energy: -193.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2474.714230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.714230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.714230 (E_RNA) where: Base-Base interactions energy: -1677.088 where: short stacking energy: -739.886 Base-Backbone interact. energy: 3.324 local terms energy: -800.950106 where: bonds (distance) C4'-P energy: -146.006 bonds (distance) P-C4' energy: -157.483 flat angles C4'-P-C4' energy: -164.916 flat angles P-C4'-P energy: -128.240 tors. eta vs tors. theta energy: -204.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2318.803873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.803873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.803873 (E_RNA) where: Base-Base interactions energy: -1551.832 where: short stacking energy: -700.917 Base-Backbone interact. energy: -5.033 local terms energy: -761.938659 where: bonds (distance) C4'-P energy: -141.923 bonds (distance) P-C4' energy: -162.517 flat angles C4'-P-C4' energy: -172.118 flat angles P-C4'-P energy: -101.822 tors. eta vs tors. theta energy: -183.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1964.385313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.385313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.385313 (E_RNA) where: Base-Base interactions energy: -1300.323 where: short stacking energy: -582.163 Base-Backbone interact. energy: -2.581 local terms energy: -661.482059 where: bonds (distance) C4'-P energy: -143.668 bonds (distance) P-C4' energy: -130.069 flat angles C4'-P-C4' energy: -156.453 flat angles P-C4'-P energy: -101.855 tors. eta vs tors. theta energy: -129.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1815.144069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.144069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.144069 (E_RNA) where: Base-Base interactions energy: -1194.818 where: short stacking energy: -521.808 Base-Backbone interact. energy: -6.245 local terms energy: -614.081780 where: bonds (distance) C4'-P energy: -129.120 bonds (distance) P-C4' energy: -125.786 flat angles C4'-P-C4' energy: -166.198 flat angles P-C4'-P energy: -78.779 tors. eta vs tors. theta energy: -114.198 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: 6 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1545.680738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.680738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.680738 (E_RNA) where: Base-Base interactions energy: -966.631 where: short stacking energy: -467.782 Base-Backbone interact. energy: -1.910 local terms energy: -577.140160 where: bonds (distance) C4'-P energy: -132.014 bonds (distance) P-C4' energy: -130.334 flat angles C4'-P-C4' energy: -138.702 flat angles P-C4'-P energy: -76.101 tors. eta vs tors. theta energy: -99.990 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: 8 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1405.157565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.157565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.157565 (E_RNA) where: Base-Base interactions energy: -824.812 where: short stacking energy: -401.266 Base-Backbone interact. energy: -2.366 local terms energy: -577.979798 where: bonds (distance) C4'-P energy: -141.229 bonds (distance) P-C4' energy: -155.161 flat angles C4'-P-C4' energy: -133.894 flat angles P-C4'-P energy: -76.499 tors. eta vs tors. theta energy: -71.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1046.166763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.166763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.166763 (E_RNA) where: Base-Base interactions energy: -562.915 where: short stacking energy: -310.257 Base-Backbone interact. energy: 1.846 local terms energy: -485.098008 where: bonds (distance) C4'-P energy: -115.147 bonds (distance) P-C4' energy: -146.077 flat angles C4'-P-C4' energy: -119.997 flat angles P-C4'-P energy: -81.326 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: 10 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -683.482856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.482856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.482856 (E_RNA) where: Base-Base interactions energy: -283.523 where: short stacking energy: -197.676 Base-Backbone interact. energy: 3.914 local terms energy: -403.873630 where: bonds (distance) C4'-P energy: -134.738 bonds (distance) P-C4' energy: -131.653 flat angles C4'-P-C4' energy: -107.263 flat angles P-C4'-P energy: -64.990 tors. eta vs tors. theta energy: 34.770 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: 1 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2675.823802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.823802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.823802 (E_RNA) where: Base-Base interactions energy: -1834.799 where: short stacking energy: -835.822 Base-Backbone interact. energy: -2.468 local terms energy: -838.556343 where: bonds (distance) C4'-P energy: -156.814 bonds (distance) P-C4' energy: -154.697 flat angles C4'-P-C4' energy: -166.536 flat angles P-C4'-P energy: -119.316 tors. eta vs tors. theta energy: -241.194 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: 288 Temperature: 0.950000 Total energy: -2601.938262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.938262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.938262 (E_RNA) where: Base-Base interactions energy: -1800.593 where: short stacking energy: -742.240 Base-Backbone interact. energy: -3.930 local terms energy: -797.414956 where: bonds (distance) C4'-P energy: -155.186 bonds (distance) P-C4' energy: -160.734 flat angles C4'-P-C4' energy: -181.445 flat angles P-C4'-P energy: -111.380 tors. eta vs tors. theta energy: -188.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2488.844797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.844797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.844797 (E_RNA) where: Base-Base interactions energy: -1695.823 where: short stacking energy: -725.819 Base-Backbone interact. energy: -4.587 local terms energy: -788.434811 where: bonds (distance) C4'-P energy: -151.629 bonds (distance) P-C4' energy: -162.404 flat angles C4'-P-C4' energy: -163.095 flat angles P-C4'-P energy: -112.846 tors. eta vs tors. theta energy: -198.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2315.375050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.375050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.375050 (E_RNA) where: Base-Base interactions energy: -1560.409 where: short stacking energy: -712.798 Base-Backbone interact. energy: -2.230 local terms energy: -752.735872 where: bonds (distance) C4'-P energy: -146.618 bonds (distance) P-C4' energy: -140.662 flat angles C4'-P-C4' energy: -161.925 flat angles P-C4'-P energy: -112.198 tors. eta vs tors. theta energy: -191.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2045.579328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.579328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.579328 (E_RNA) where: Base-Base interactions energy: -1312.107 where: short stacking energy: -613.429 Base-Backbone interact. energy: 0.190 local terms energy: -733.661747 where: bonds (distance) C4'-P energy: -148.743 bonds (distance) P-C4' energy: -147.550 flat angles C4'-P-C4' energy: -172.436 flat angles P-C4'-P energy: -103.236 tors. eta vs tors. theta energy: -161.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1867.895667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.895667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.895667 (E_RNA) where: Base-Base interactions energy: -1216.011 where: short stacking energy: -546.614 Base-Backbone interact. energy: 1.448 local terms energy: -653.332928 where: bonds (distance) C4'-P energy: -149.181 bonds (distance) P-C4' energy: -128.178 flat angles C4'-P-C4' energy: -158.941 flat angles P-C4'-P energy: -96.511 tors. eta vs tors. theta energy: -120.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1423.108538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.108538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.108538 (E_RNA) where: Base-Base interactions energy: -899.477 where: short stacking energy: -407.179 Base-Backbone interact. energy: 3.571 local terms energy: -527.202020 where: bonds (distance) C4'-P energy: -137.811 bonds (distance) P-C4' energy: -137.889 flat angles C4'-P-C4' energy: -120.540 flat angles P-C4'-P energy: -77.110 tors. eta vs tors. theta energy: -53.851 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: 8 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1353.609070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.609070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.609070 (E_RNA) where: Base-Base interactions energy: -830.791 where: short stacking energy: -368.400 Base-Backbone interact. energy: -3.397 local terms energy: -519.420574 where: bonds (distance) C4'-P energy: -115.140 bonds (distance) P-C4' energy: -123.542 flat angles C4'-P-C4' energy: -137.061 flat angles P-C4'-P energy: -94.207 tors. eta vs tors. theta energy: -49.471 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: 7 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -980.065920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.065920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.065920 (E_RNA) where: Base-Base interactions energy: -483.528 where: short stacking energy: -258.154 Base-Backbone interact. energy: -4.537 local terms energy: -492.000470 where: bonds (distance) C4'-P energy: -134.786 bonds (distance) P-C4' energy: -137.740 flat angles C4'-P-C4' energy: -120.524 flat angles P-C4'-P energy: -85.614 tors. eta vs tors. theta energy: -13.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -700.803202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.803202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.803202 (E_RNA) where: Base-Base interactions energy: -287.230 where: short stacking energy: -162.114 Base-Backbone interact. energy: -0.409 local terms energy: -413.164607 where: bonds (distance) C4'-P energy: -137.572 bonds (distance) P-C4' energy: -130.730 flat angles C4'-P-C4' energy: -100.806 flat angles P-C4'-P energy: -81.631 tors. eta vs tors. theta energy: 37.574 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: 1 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2690.944098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.944098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.944098 (E_RNA) where: Base-Base interactions energy: -1810.167 where: short stacking energy: -821.208 Base-Backbone interact. energy: -4.687 local terms energy: -876.090363 where: bonds (distance) C4'-P energy: -145.366 bonds (distance) P-C4' energy: -171.392 flat angles C4'-P-C4' energy: -190.024 flat angles P-C4'-P energy: -133.328 tors. eta vs tors. theta energy: -235.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2622.677746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.677746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.677746 (E_RNA) where: Base-Base interactions energy: -1826.962 where: short stacking energy: -756.149 Base-Backbone interact. energy: -2.269 local terms energy: -793.446721 where: bonds (distance) C4'-P energy: -153.942 bonds (distance) P-C4' energy: -159.274 flat angles C4'-P-C4' energy: -174.705 flat angles P-C4'-P energy: -114.146 tors. eta vs tors. theta energy: -191.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2442.388473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.388473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.388473 (E_RNA) where: Base-Base interactions energy: -1653.350 where: short stacking energy: -715.898 Base-Backbone interact. energy: 0.407 local terms energy: -789.444928 where: bonds (distance) C4'-P energy: -160.503 bonds (distance) P-C4' energy: -141.155 flat angles C4'-P-C4' energy: -171.587 flat angles P-C4'-P energy: -108.416 tors. eta vs tors. theta energy: -207.784 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: 4, replica: 9 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2344.086115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.086115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.086115 (E_RNA) where: Base-Base interactions energy: -1598.014 where: short stacking energy: -704.234 Base-Backbone interact. energy: 2.052 local terms energy: -748.124421 where: bonds (distance) C4'-P energy: -141.295 bonds (distance) P-C4' energy: -131.234 flat angles C4'-P-C4' energy: -173.774 flat angles P-C4'-P energy: -117.098 tors. eta vs tors. theta energy: -184.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1935.818243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.818243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.818243 (E_RNA) where: Base-Base interactions energy: -1286.782 where: short stacking energy: -546.685 Base-Backbone interact. energy: -2.171 local terms energy: -646.865797 where: bonds (distance) C4'-P energy: -126.825 bonds (distance) P-C4' energy: -145.971 flat angles C4'-P-C4' energy: -159.235 flat angles P-C4'-P energy: -84.929 tors. eta vs tors. theta energy: -129.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1799.682121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.682121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.682121 (E_RNA) where: Base-Base interactions energy: -1174.454 where: short stacking energy: -513.059 Base-Backbone interact. energy: -2.953 local terms energy: -622.274841 where: bonds (distance) C4'-P energy: -122.419 bonds (distance) P-C4' energy: -147.989 flat angles C4'-P-C4' energy: -151.050 flat angles P-C4'-P energy: -83.937 tors. eta vs tors. theta energy: -116.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1441.218281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.218281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.218281 (E_RNA) where: Base-Base interactions energy: -892.108 where: short stacking energy: -433.836 Base-Backbone interact. energy: -0.625 local terms energy: -548.485129 where: bonds (distance) C4'-P energy: -117.243 bonds (distance) P-C4' energy: -134.694 flat angles C4'-P-C4' energy: -138.850 flat angles P-C4'-P energy: -85.110 tors. eta vs tors. theta energy: -72.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1334.477971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.477971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.477971 (E_RNA) where: Base-Base interactions energy: -776.793 where: short stacking energy: -353.128 Base-Backbone interact. energy: -0.873 local terms energy: -556.811719 where: bonds (distance) C4'-P energy: -132.691 bonds (distance) P-C4' energy: -145.555 flat angles C4'-P-C4' energy: -145.824 flat angles P-C4'-P energy: -71.371 tors. eta vs tors. theta energy: -61.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -979.568269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.568269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.568269 (E_RNA) where: Base-Base interactions energy: -477.826 where: short stacking energy: -293.411 Base-Backbone interact. energy: 1.455 local terms energy: -503.196922 where: bonds (distance) C4'-P energy: -130.675 bonds (distance) P-C4' energy: -146.995 flat angles C4'-P-C4' energy: -127.787 flat angles P-C4'-P energy: -75.098 tors. eta vs tors. theta energy: -22.642 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: 10 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -755.186649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.186649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.186649 (E_RNA) where: Base-Base interactions energy: -328.279 where: short stacking energy: -227.244 Base-Backbone interact. energy: -0.659 local terms energy: -426.248775 where: bonds (distance) C4'-P energy: -125.035 bonds (distance) P-C4' energy: -131.507 flat angles C4'-P-C4' energy: -103.947 flat angles P-C4'-P energy: -64.290 tors. eta vs tors. theta energy: -1.470 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: 2 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2735.195563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.195563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.195563 (E_RNA) where: Base-Base interactions energy: -1894.372 where: short stacking energy: -772.514 Base-Backbone interact. energy: -7.431 local terms energy: -833.392285 where: bonds (distance) C4'-P energy: -161.127 bonds (distance) P-C4' energy: -178.360 flat angles C4'-P-C4' energy: -173.880 flat angles P-C4'-P energy: -119.960 tors. eta vs tors. theta energy: -200.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2680.182300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.182300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.182300 (E_RNA) where: Base-Base interactions energy: -1810.254 where: short stacking energy: -836.408 Base-Backbone interact. energy: -0.940 local terms energy: -868.988024 where: bonds (distance) C4'-P energy: -145.940 bonds (distance) P-C4' energy: -168.468 flat angles C4'-P-C4' energy: -187.401 flat angles P-C4'-P energy: -134.059 tors. eta vs tors. theta energy: -233.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2480.979055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.979055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.979055 (E_RNA) where: Base-Base interactions energy: -1660.523 where: short stacking energy: -744.550 Base-Backbone interact. energy: -1.318 local terms energy: -819.138122 where: bonds (distance) C4'-P energy: -150.299 bonds (distance) P-C4' energy: -157.764 flat angles C4'-P-C4' energy: -170.818 flat angles P-C4'-P energy: -129.980 tors. eta vs tors. theta energy: -210.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2362.647013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.647013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.647013 (E_RNA) where: Base-Base interactions energy: -1595.010 where: short stacking energy: -695.483 Base-Backbone interact. energy: -2.235 local terms energy: -765.402229 where: bonds (distance) C4'-P energy: -144.795 bonds (distance) P-C4' energy: -161.039 flat angles C4'-P-C4' energy: -170.904 flat angles P-C4'-P energy: -96.992 tors. eta vs tors. theta energy: -191.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2042.000736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.000736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.000736 (E_RNA) where: Base-Base interactions energy: -1326.352 where: short stacking energy: -575.331 Base-Backbone interact. energy: -2.610 local terms energy: -713.038956 where: bonds (distance) C4'-P energy: -146.044 bonds (distance) P-C4' energy: -139.761 flat angles C4'-P-C4' energy: -159.186 flat angles P-C4'-P energy: -109.051 tors. eta vs tors. theta energy: -158.997 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: 6, replica: 4 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1874.683692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.683692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.683692 (E_RNA) where: Base-Base interactions energy: -1202.239 where: short stacking energy: -550.253 Base-Backbone interact. energy: -2.030 local terms energy: -670.413863 where: bonds (distance) C4'-P energy: -141.694 bonds (distance) P-C4' energy: -141.769 flat angles C4'-P-C4' energy: -145.134 flat angles P-C4'-P energy: -105.652 tors. eta vs tors. theta energy: -136.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1501.295459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.295459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.295459 (E_RNA) where: Base-Base interactions energy: -900.500 where: short stacking energy: -426.841 Base-Backbone interact. energy: 3.820 local terms energy: -604.614980 where: bonds (distance) C4'-P energy: -142.139 bonds (distance) P-C4' energy: -150.420 flat angles C4'-P-C4' energy: -138.025 flat angles P-C4'-P energy: -91.929 tors. eta vs tors. theta energy: -82.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1305.212209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.212209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.212209 (E_RNA) where: Base-Base interactions energy: -775.271 where: short stacking energy: -379.796 Base-Backbone interact. energy: -0.010 local terms energy: -529.930801 where: bonds (distance) C4'-P energy: -136.921 bonds (distance) P-C4' energy: -142.282 flat angles C4'-P-C4' energy: -120.752 flat angles P-C4'-P energy: -72.003 tors. eta vs tors. theta energy: -57.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1044.203170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.203170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.203170 (E_RNA) where: Base-Base interactions energy: -551.431 where: short stacking energy: -310.018 Base-Backbone interact. energy: 3.855 local terms energy: -496.627813 where: bonds (distance) C4'-P energy: -129.922 bonds (distance) P-C4' energy: -135.650 flat angles C4'-P-C4' energy: -133.515 flat angles P-C4'-P energy: -63.345 tors. eta vs tors. theta energy: -34.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -710.882562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.882562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.882562 (E_RNA) where: Base-Base interactions energy: -288.081 where: short stacking energy: -182.311 Base-Backbone interact. energy: -2.851 local terms energy: -419.950819 where: bonds (distance) C4'-P energy: -157.010 bonds (distance) P-C4' energy: -135.519 flat angles C4'-P-C4' energy: -118.027 flat angles P-C4'-P energy: -29.917 tors. eta vs tors. theta energy: 20.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2740.448825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.448825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.448825 (E_RNA) where: Base-Base interactions energy: -1909.198 where: short stacking energy: -797.197 Base-Backbone interact. energy: -5.712 local terms energy: -825.538881 where: bonds (distance) C4'-P energy: -162.142 bonds (distance) P-C4' energy: -176.928 flat angles C4'-P-C4' energy: -175.164 flat angles P-C4'-P energy: -110.728 tors. eta vs tors. theta energy: -200.577 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: 2, replica: 1 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2616.690804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.690804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.690804 (E_RNA) where: Base-Base interactions energy: -1784.460 where: short stacking energy: -797.715 Base-Backbone interact. energy: -7.015 local terms energy: -825.215507 where: bonds (distance) C4'-P energy: -158.485 bonds (distance) P-C4' energy: -152.867 flat angles C4'-P-C4' energy: -180.586 flat angles P-C4'-P energy: -112.670 tors. eta vs tors. theta energy: -220.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2468.301267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.301267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.301267 (E_RNA) where: Base-Base interactions energy: -1692.597 where: short stacking energy: -712.007 Base-Backbone interact. energy: -0.240 local terms energy: -775.464912 where: bonds (distance) C4'-P energy: -141.756 bonds (distance) P-C4' energy: -145.959 flat angles C4'-P-C4' energy: -173.317 flat angles P-C4'-P energy: -112.592 tors. eta vs tors. theta energy: -201.841 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: 9 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2338.538150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.538150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.538150 (E_RNA) where: Base-Base interactions energy: -1593.806 where: short stacking energy: -681.715 Base-Backbone interact. energy: 2.135 local terms energy: -746.866881 where: bonds (distance) C4'-P energy: -144.343 bonds (distance) P-C4' energy: -158.646 flat angles C4'-P-C4' energy: -167.195 flat angles P-C4'-P energy: -107.832 tors. eta vs tors. theta energy: -168.850 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: 5 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2026.784643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.784643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.784643 (E_RNA) where: Base-Base interactions energy: -1318.216 where: short stacking energy: -603.652 Base-Backbone interact. energy: -1.204 local terms energy: -707.364877 where: bonds (distance) C4'-P energy: -135.693 bonds (distance) P-C4' energy: -153.352 flat angles C4'-P-C4' energy: -157.355 flat angles P-C4'-P energy: -102.828 tors. eta vs tors. theta energy: -158.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1919.157588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.157588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.157588 (E_RNA) where: Base-Base interactions energy: -1246.753 where: short stacking energy: -548.110 Base-Backbone interact. energy: 2.306 local terms energy: -674.711203 where: bonds (distance) C4'-P energy: -141.546 bonds (distance) P-C4' energy: -153.382 flat angles C4'-P-C4' energy: -144.713 flat angles P-C4'-P energy: -103.390 tors. eta vs tors. theta energy: -131.679 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: 6 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1472.318584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.318584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.318584 (E_RNA) where: Base-Base interactions energy: -906.738 where: short stacking energy: -385.426 Base-Backbone interact. energy: -3.184 local terms energy: -562.396360 where: bonds (distance) C4'-P energy: -139.772 bonds (distance) P-C4' energy: -138.561 flat angles C4'-P-C4' energy: -120.869 flat angles P-C4'-P energy: -90.636 tors. eta vs tors. theta energy: -72.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1311.439677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.439677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.439677 (E_RNA) where: Base-Base interactions energy: -793.822 where: short stacking energy: -415.104 Base-Backbone interact. energy: 4.814 local terms energy: -522.431198 where: bonds (distance) C4'-P energy: -137.201 bonds (distance) P-C4' energy: -136.974 flat angles C4'-P-C4' energy: -137.295 flat angles P-C4'-P energy: -75.909 tors. eta vs tors. theta energy: -35.051 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: 7 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -1028.243856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.243856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.243856 (E_RNA) where: Base-Base interactions energy: -535.480 where: short stacking energy: -280.985 Base-Backbone interact. energy: 2.694 local terms energy: -495.457998 where: bonds (distance) C4'-P energy: -112.145 bonds (distance) P-C4' energy: -145.238 flat angles C4'-P-C4' energy: -137.450 flat angles P-C4'-P energy: -71.998 tors. eta vs tors. theta energy: -28.627 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: 10, replica: 10 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -682.160536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.160536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.160536 (E_RNA) where: Base-Base interactions energy: -274.852 where: short stacking energy: -222.584 Base-Backbone interact. energy: 0.134 local terms energy: -407.442549 where: bonds (distance) C4'-P energy: -120.311 bonds (distance) P-C4' energy: -132.485 flat angles C4'-P-C4' energy: -118.022 flat angles P-C4'-P energy: -65.181 tors. eta vs tors. theta energy: 28.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2759.661753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.661753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.661753 (E_RNA) where: Base-Base interactions energy: -1938.630 where: short stacking energy: -783.907 Base-Backbone interact. energy: -6.060 local terms energy: -814.972009 where: bonds (distance) C4'-P energy: -158.271 bonds (distance) P-C4' energy: -149.561 flat angles C4'-P-C4' energy: -178.918 flat angles P-C4'-P energy: -132.267 tors. eta vs tors. theta energy: -195.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2657.654583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.654583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.654583 (E_RNA) where: Base-Base interactions energy: -1797.127 where: short stacking energy: -793.486 Base-Backbone interact. energy: -6.745 local terms energy: -853.781667 where: bonds (distance) C4'-P energy: -163.931 bonds (distance) P-C4' energy: -175.780 flat angles C4'-P-C4' energy: -185.962 flat angles P-C4'-P energy: -102.395 tors. eta vs tors. theta energy: -225.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2462.277907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.277907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.277907 (E_RNA) where: Base-Base interactions energy: -1688.546 where: short stacking energy: -726.236 Base-Backbone interact. energy: -2.182 local terms energy: -771.550001 where: bonds (distance) C4'-P energy: -128.976 bonds (distance) P-C4' energy: -148.578 flat angles C4'-P-C4' energy: -166.670 flat angles P-C4'-P energy: -117.329 tors. eta vs tors. theta energy: -209.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2310.031730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.031730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.031730 (E_RNA) where: Base-Base interactions energy: -1572.076 where: short stacking energy: -685.080 Base-Backbone interact. energy: -3.138 local terms energy: -734.817985 where: bonds (distance) C4'-P energy: -140.217 bonds (distance) P-C4' energy: -148.926 flat angles C4'-P-C4' energy: -167.356 flat angles P-C4'-P energy: -96.981 tors. eta vs tors. theta energy: -181.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2039.035131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.035131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.035131 (E_RNA) where: Base-Base interactions energy: -1388.332 where: short stacking energy: -627.095 Base-Backbone interact. energy: -1.033 local terms energy: -649.669858 where: bonds (distance) C4'-P energy: -137.653 bonds (distance) P-C4' energy: -122.947 flat angles C4'-P-C4' energy: -146.959 flat angles P-C4'-P energy: -94.454 tors. eta vs tors. theta energy: -147.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1927.380862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.380862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.380862 (E_RNA) where: Base-Base interactions energy: -1266.325 where: short stacking energy: -554.815 Base-Backbone interact. energy: -2.121 local terms energy: -658.934639 where: bonds (distance) C4'-P energy: -136.706 bonds (distance) P-C4' energy: -127.308 flat angles C4'-P-C4' energy: -158.977 flat angles P-C4'-P energy: -112.134 tors. eta vs tors. theta energy: -123.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1537.786844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.786844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.786844 (E_RNA) where: Base-Base interactions energy: -929.761 where: short stacking energy: -441.041 Base-Backbone interact. energy: -1.970 local terms energy: -606.055956 where: bonds (distance) C4'-P energy: -132.171 bonds (distance) P-C4' energy: -153.655 flat angles C4'-P-C4' energy: -145.198 flat angles P-C4'-P energy: -85.375 tors. eta vs tors. theta energy: -89.657 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: 8 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1237.773017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.773017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.773017 (E_RNA) where: Base-Base interactions energy: -689.942 where: short stacking energy: -331.888 Base-Backbone interact. energy: 3.398 local terms energy: -551.228872 where: bonds (distance) C4'-P energy: -134.742 bonds (distance) P-C4' energy: -149.796 flat angles C4'-P-C4' energy: -165.119 flat angles P-C4'-P energy: -74.296 tors. eta vs tors. theta energy: -27.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -987.334697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.334697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.334697 (E_RNA) where: Base-Base interactions energy: -507.091 where: short stacking energy: -245.588 Base-Backbone interact. energy: 5.516 local terms energy: -485.759494 where: bonds (distance) C4'-P energy: -145.758 bonds (distance) P-C4' energy: -143.147 flat angles C4'-P-C4' energy: -122.676 flat angles P-C4'-P energy: -69.131 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: 10, replica: 10 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -779.530582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.530582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.530582 (E_RNA) where: Base-Base interactions energy: -358.154 where: short stacking energy: -234.650 Base-Backbone interact. energy: -1.754 local terms energy: -419.622888 where: bonds (distance) C4'-P energy: -104.438 bonds (distance) P-C4' energy: -141.774 flat angles C4'-P-C4' energy: -128.853 flat angles P-C4'-P energy: -56.904 tors. eta vs tors. theta energy: 12.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2748.726454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.726454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.726454 (E_RNA) where: Base-Base interactions energy: -1901.038 where: short stacking energy: -766.370 Base-Backbone interact. energy: -6.723 local terms energy: -840.964901 where: bonds (distance) C4'-P energy: -163.158 bonds (distance) P-C4' energy: -164.128 flat angles C4'-P-C4' energy: -187.863 flat angles P-C4'-P energy: -119.972 tors. eta vs tors. theta energy: -205.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2627.344379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.344379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.344379 (E_RNA) where: Base-Base interactions energy: -1787.493 where: short stacking energy: -796.639 Base-Backbone interact. energy: -1.461 local terms energy: -838.390262 where: bonds (distance) C4'-P energy: -171.330 bonds (distance) P-C4' energy: -146.387 flat angles C4'-P-C4' energy: -181.507 flat angles P-C4'-P energy: -98.171 tors. eta vs tors. theta energy: -240.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2493.803992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.803992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.803992 (E_RNA) where: Base-Base interactions energy: -1685.334 where: short stacking energy: -767.652 Base-Backbone interact. energy: 1.931 local terms energy: -810.400925 where: bonds (distance) C4'-P energy: -148.409 bonds (distance) P-C4' energy: -158.812 flat angles C4'-P-C4' energy: -167.704 flat angles P-C4'-P energy: -120.436 tors. eta vs tors. theta energy: -215.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2329.909973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.909973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.909973 (E_RNA) where: Base-Base interactions energy: -1570.211 where: short stacking energy: -653.484 Base-Backbone interact. energy: 0.394 local terms energy: -760.092895 where: bonds (distance) C4'-P energy: -157.132 bonds (distance) P-C4' energy: -143.133 flat angles C4'-P-C4' energy: -178.198 flat angles P-C4'-P energy: -121.564 tors. eta vs tors. theta energy: -160.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2082.294560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.294560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.294560 (E_RNA) where: Base-Base interactions energy: -1372.859 where: short stacking energy: -622.113 Base-Backbone interact. energy: -0.772 local terms energy: -708.663384 where: bonds (distance) C4'-P energy: -149.113 bonds (distance) P-C4' energy: -141.343 flat angles C4'-P-C4' energy: -166.168 flat angles P-C4'-P energy: -83.418 tors. eta vs tors. theta energy: -168.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1900.323336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.323336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.323336 (E_RNA) where: Base-Base interactions energy: -1244.208 where: short stacking energy: -570.581 Base-Backbone interact. energy: -3.441 local terms energy: -652.674128 where: bonds (distance) C4'-P energy: -133.423 bonds (distance) P-C4' energy: -156.584 flat angles C4'-P-C4' energy: -133.111 flat angles P-C4'-P energy: -104.371 tors. eta vs tors. theta energy: -125.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1451.392240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.392240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.392240 (E_RNA) where: Base-Base interactions energy: -883.680 where: short stacking energy: -412.806 Base-Backbone interact. energy: -0.977 local terms energy: -566.735369 where: bonds (distance) C4'-P energy: -158.676 bonds (distance) P-C4' energy: -119.223 flat angles C4'-P-C4' energy: -134.711 flat angles P-C4'-P energy: -69.354 tors. eta vs tors. theta energy: -84.773 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: 8, replica: 8 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1262.947465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.947465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.947465 (E_RNA) where: Base-Base interactions energy: -776.614 where: short stacking energy: -363.431 Base-Backbone interact. energy: 1.835 local terms energy: -488.169172 where: bonds (distance) C4'-P energy: -122.669 bonds (distance) P-C4' energy: -140.728 flat angles C4'-P-C4' energy: -114.328 flat angles P-C4'-P energy: -82.999 tors. eta vs tors. theta energy: -27.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -976.292746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.292746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.292746 (E_RNA) where: Base-Base interactions energy: -518.481 where: short stacking energy: -292.867 Base-Backbone interact. energy: -0.954 local terms energy: -456.856863 where: bonds (distance) C4'-P energy: -109.998 bonds (distance) P-C4' energy: -126.597 flat angles C4'-P-C4' energy: -129.590 flat angles P-C4'-P energy: -78.542 tors. eta vs tors. theta energy: -12.130 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: 10 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -673.359289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.359289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.359289 (E_RNA) where: Base-Base interactions energy: -277.879 where: short stacking energy: -178.343 Base-Backbone interact. energy: 3.979 local terms energy: -399.459370 where: bonds (distance) C4'-P energy: -129.376 bonds (distance) P-C4' energy: -134.160 flat angles C4'-P-C4' energy: -117.138 flat angles P-C4'-P energy: -48.643 tors. eta vs tors. theta energy: 29.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2743.682153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.682153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.682153 (E_RNA) where: Base-Base interactions energy: -1900.617 where: short stacking energy: -809.477 Base-Backbone interact. energy: -7.924 local terms energy: -835.140836 where: bonds (distance) C4'-P energy: -152.274 bonds (distance) P-C4' energy: -171.118 flat angles C4'-P-C4' energy: -180.928 flat angles P-C4'-P energy: -135.256 tors. eta vs tors. theta energy: -195.564 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: 2, replica: 1 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2606.072543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.072543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.072543 (E_RNA) where: Base-Base interactions energy: -1776.219 where: short stacking energy: -774.292 Base-Backbone interact. energy: -3.767 local terms energy: -826.086050 where: bonds (distance) C4'-P energy: -165.674 bonds (distance) P-C4' energy: -163.426 flat angles C4'-P-C4' energy: -173.611 flat angles P-C4'-P energy: -104.272 tors. eta vs tors. theta energy: -219.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2466.632079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.632079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.632079 (E_RNA) where: Base-Base interactions energy: -1636.063 where: short stacking energy: -724.397 Base-Backbone interact. energy: -3.628 local terms energy: -826.941288 where: bonds (distance) C4'-P energy: -152.562 bonds (distance) P-C4' energy: -159.270 flat angles C4'-P-C4' energy: -176.286 flat angles P-C4'-P energy: -127.755 tors. eta vs tors. theta energy: -211.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2354.926563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.926563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.926563 (E_RNA) where: Base-Base interactions energy: -1604.968 where: short stacking energy: -680.819 Base-Backbone interact. energy: -1.813 local terms energy: -748.145087 where: bonds (distance) C4'-P energy: -148.261 bonds (distance) P-C4' energy: -146.442 flat angles C4'-P-C4' energy: -167.848 flat angles P-C4'-P energy: -99.761 tors. eta vs tors. theta energy: -185.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2101.468376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.468376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.468376 (E_RNA) where: Base-Base interactions energy: -1386.682 where: short stacking energy: -645.018 Base-Backbone interact. energy: -0.462 local terms energy: -714.324572 where: bonds (distance) C4'-P energy: -152.701 bonds (distance) P-C4' energy: -140.424 flat angles C4'-P-C4' energy: -159.225 flat angles P-C4'-P energy: -93.936 tors. eta vs tors. theta energy: -168.038 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: 6, replica: 5 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1923.487795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.487795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.487795 (E_RNA) where: Base-Base interactions energy: -1249.421 where: short stacking energy: -575.107 Base-Backbone interact. energy: 0.776 local terms energy: -674.842531 where: bonds (distance) C4'-P energy: -157.863 bonds (distance) P-C4' energy: -137.312 flat angles C4'-P-C4' energy: -167.701 flat angles P-C4'-P energy: -81.681 tors. eta vs tors. theta energy: -130.286 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: 294 Temperature: 1.200000 Total energy: -1455.375649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.375649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.375649 (E_RNA) where: Base-Base interactions energy: -904.703 where: short stacking energy: -424.079 Base-Backbone interact. energy: 0.139 local terms energy: -550.811940 where: bonds (distance) C4'-P energy: -136.376 bonds (distance) P-C4' energy: -141.060 flat angles C4'-P-C4' energy: -130.890 flat angles P-C4'-P energy: -75.381 tors. eta vs tors. theta energy: -67.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1347.991797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.991797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.991797 (E_RNA) where: Base-Base interactions energy: -830.836 where: short stacking energy: -369.350 Base-Backbone interact. energy: 11.261 local terms energy: -528.416276 where: bonds (distance) C4'-P energy: -126.700 bonds (distance) P-C4' energy: -150.146 flat angles C4'-P-C4' energy: -127.002 flat angles P-C4'-P energy: -71.342 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: 9, replica: 7 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -948.216084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.216084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.216084 (E_RNA) where: Base-Base interactions energy: -490.870 where: short stacking energy: -289.726 Base-Backbone interact. energy: -1.024 local terms energy: -456.321380 where: bonds (distance) C4'-P energy: -127.167 bonds (distance) P-C4' energy: -122.218 flat angles C4'-P-C4' energy: -120.277 flat angles P-C4'-P energy: -74.948 tors. eta vs tors. theta energy: -11.710 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: 10 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -685.702858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.702858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.702858 (E_RNA) where: Base-Base interactions energy: -271.578 where: short stacking energy: -189.762 Base-Backbone interact. energy: -0.204 local terms energy: -413.921202 where: bonds (distance) C4'-P energy: -125.355 bonds (distance) P-C4' energy: -110.363 flat angles C4'-P-C4' energy: -127.426 flat angles P-C4'-P energy: -66.651 tors. eta vs tors. theta energy: 15.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2802.757790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.757790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.757790 (E_RNA) where: Base-Base interactions energy: -1948.001 where: short stacking energy: -841.929 Base-Backbone interact. energy: -3.763 local terms energy: -850.993602 where: bonds (distance) C4'-P energy: -165.249 bonds (distance) P-C4' energy: -166.428 flat angles C4'-P-C4' energy: -185.404 flat angles P-C4'-P energy: -120.559 tors. eta vs tors. theta energy: -213.353 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: 1 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2640.335925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.335925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.335925 (E_RNA) where: Base-Base interactions energy: -1795.686 where: short stacking energy: -785.482 Base-Backbone interact. energy: -5.756 local terms energy: -838.894233 where: bonds (distance) C4'-P energy: -140.389 bonds (distance) P-C4' energy: -164.025 flat angles C4'-P-C4' energy: -186.868 flat angles P-C4'-P energy: -121.387 tors. eta vs tors. theta energy: -226.226 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: 3, replica: 3 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2470.885969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.885969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.885969 (E_RNA) where: Base-Base interactions energy: -1668.902 where: short stacking energy: -738.586 Base-Backbone interact. energy: -4.271 local terms energy: -797.712595 where: bonds (distance) C4'-P energy: -150.233 bonds (distance) P-C4' energy: -145.671 flat angles C4'-P-C4' energy: -186.434 flat angles P-C4'-P energy: -108.986 tors. eta vs tors. theta energy: -206.389 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: 9 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2336.840517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.840517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.840517 (E_RNA) where: Base-Base interactions energy: -1566.521 where: short stacking energy: -686.047 Base-Backbone interact. energy: 3.927 local terms energy: -774.246968 where: bonds (distance) C4'-P energy: -141.810 bonds (distance) P-C4' energy: -157.396 flat angles C4'-P-C4' energy: -167.751 flat angles P-C4'-P energy: -127.510 tors. eta vs tors. theta energy: -179.780 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: 5, replica: 4 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2118.639697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.639697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.639697 (E_RNA) where: Base-Base interactions energy: -1402.397 where: short stacking energy: -615.879 Base-Backbone interact. energy: 2.628 local terms energy: -718.871085 where: bonds (distance) C4'-P energy: -153.197 bonds (distance) P-C4' energy: -144.988 flat angles C4'-P-C4' energy: -162.572 flat angles P-C4'-P energy: -101.804 tors. eta vs tors. theta energy: -156.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1905.680990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.680990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.680990 (E_RNA) where: Base-Base interactions energy: -1252.620 where: short stacking energy: -581.454 Base-Backbone interact. energy: -3.983 local terms energy: -649.078501 where: bonds (distance) C4'-P energy: -137.881 bonds (distance) P-C4' energy: -126.986 flat angles C4'-P-C4' energy: -160.753 flat angles P-C4'-P energy: -86.474 tors. eta vs tors. theta energy: -136.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1531.583003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.583003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.583003 (E_RNA) where: Base-Base interactions energy: -942.618 where: short stacking energy: -445.164 Base-Backbone interact. energy: -4.043 local terms energy: -584.922115 where: bonds (distance) C4'-P energy: -130.717 bonds (distance) P-C4' energy: -124.214 flat angles C4'-P-C4' energy: -144.002 flat angles P-C4'-P energy: -90.298 tors. eta vs tors. theta energy: -95.691 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: 8 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1327.309493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.309493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.309493 (E_RNA) where: Base-Base interactions energy: -792.317 where: short stacking energy: -368.911 Base-Backbone interact. energy: -1.187 local terms energy: -533.805110 where: bonds (distance) C4'-P energy: -124.346 bonds (distance) P-C4' energy: -148.479 flat angles C4'-P-C4' energy: -144.077 flat angles P-C4'-P energy: -86.345 tors. eta vs tors. theta energy: -30.557 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: 7 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1027.162581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.162581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.162581 (E_RNA) where: Base-Base interactions energy: -561.460 where: short stacking energy: -273.998 Base-Backbone interact. energy: 6.082 local terms energy: -471.784690 where: bonds (distance) C4'-P energy: -125.567 bonds (distance) P-C4' energy: -121.067 flat angles C4'-P-C4' energy: -141.534 flat angles P-C4'-P energy: -68.881 tors. eta vs tors. theta energy: -14.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -696.041303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.041303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.041303 (E_RNA) where: Base-Base interactions energy: -276.544 where: short stacking energy: -206.799 Base-Backbone interact. energy: 1.392 local terms energy: -420.889477 where: bonds (distance) C4'-P energy: -144.190 bonds (distance) P-C4' energy: -136.238 flat angles C4'-P-C4' energy: -101.440 flat angles P-C4'-P energy: -49.272 tors. eta vs tors. theta energy: 10.250 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: 2 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2741.599604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.599604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.599604 (E_RNA) where: Base-Base interactions energy: -1896.641 where: short stacking energy: -779.258 Base-Backbone interact. energy: -4.373 local terms energy: -840.585153 where: bonds (distance) C4'-P energy: -169.167 bonds (distance) P-C4' energy: -151.681 flat angles C4'-P-C4' energy: -183.845 flat angles P-C4'-P energy: -132.883 tors. eta vs tors. theta energy: -203.008 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: 1 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2645.868562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.868562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.868562 (E_RNA) where: Base-Base interactions energy: -1781.645 where: short stacking energy: -800.294 Base-Backbone interact. energy: -5.026 local terms energy: -859.197970 where: bonds (distance) C4'-P energy: -148.763 bonds (distance) P-C4' energy: -151.608 flat angles C4'-P-C4' energy: -185.776 flat angles P-C4'-P energy: -127.158 tors. eta vs tors. theta energy: -245.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2470.942931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.942931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.942931 (E_RNA) where: Base-Base interactions energy: -1689.785 where: short stacking energy: -734.647 Base-Backbone interact. energy: -1.795 local terms energy: -779.363473 where: bonds (distance) C4'-P energy: -141.375 bonds (distance) P-C4' energy: -158.530 flat angles C4'-P-C4' energy: -176.873 flat angles P-C4'-P energy: -114.133 tors. eta vs tors. theta energy: -188.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2345.476243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.476243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.476243 (E_RNA) where: Base-Base interactions energy: -1587.626 where: short stacking energy: -665.557 Base-Backbone interact. energy: -2.062 local terms energy: -755.788472 where: bonds (distance) C4'-P energy: -140.404 bonds (distance) P-C4' energy: -165.293 flat angles C4'-P-C4' energy: -161.916 flat angles P-C4'-P energy: -99.913 tors. eta vs tors. theta energy: -188.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2063.786376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.786376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.786376 (E_RNA) where: Base-Base interactions energy: -1378.513 where: short stacking energy: -582.813 Base-Backbone interact. energy: -7.680 local terms energy: -677.593106 where: bonds (distance) C4'-P energy: -136.999 bonds (distance) P-C4' energy: -141.671 flat angles C4'-P-C4' energy: -156.545 flat angles P-C4'-P energy: -95.089 tors. eta vs tors. theta energy: -147.289 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: 296 Temperature: 1.150000 Total energy: -1871.808196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.808196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.808196 (E_RNA) where: Base-Base interactions energy: -1228.440 where: short stacking energy: -562.649 Base-Backbone interact. energy: 1.236 local terms energy: -644.604927 where: bonds (distance) C4'-P energy: -129.580 bonds (distance) P-C4' energy: -163.366 flat angles C4'-P-C4' energy: -148.474 flat angles P-C4'-P energy: -90.506 tors. eta vs tors. theta energy: -112.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1526.370102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.370102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.370102 (E_RNA) where: Base-Base interactions energy: -911.662 where: short stacking energy: -450.433 Base-Backbone interact. energy: -0.730 local terms energy: -613.978431 where: bonds (distance) C4'-P energy: -160.931 bonds (distance) P-C4' energy: -136.643 flat angles C4'-P-C4' energy: -138.918 flat angles P-C4'-P energy: -78.373 tors. eta vs tors. theta energy: -99.113 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: 8, replica: 8 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1317.201948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.201948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.201948 (E_RNA) where: Base-Base interactions energy: -810.963 where: short stacking energy: -382.422 Base-Backbone interact. energy: 6.662 local terms energy: -512.900171 where: bonds (distance) C4'-P energy: -126.032 bonds (distance) P-C4' energy: -141.195 flat angles C4'-P-C4' energy: -130.383 flat angles P-C4'-P energy: -74.449 tors. eta vs tors. theta energy: -40.841 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: 7 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1063.779837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.779837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.779837 (E_RNA) where: Base-Base interactions energy: -582.352 where: short stacking energy: -315.219 Base-Backbone interact. energy: -0.038 local terms energy: -481.389402 where: bonds (distance) C4'-P energy: -139.472 bonds (distance) P-C4' energy: -151.476 flat angles C4'-P-C4' energy: -115.620 flat angles P-C4'-P energy: -44.546 tors. eta vs tors. theta energy: -30.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -715.245194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.245194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.245194 (E_RNA) where: Base-Base interactions energy: -304.341 where: short stacking energy: -197.970 Base-Backbone interact. energy: -1.319 local terms energy: -409.584894 where: bonds (distance) C4'-P energy: -122.697 bonds (distance) P-C4' energy: -132.850 flat angles C4'-P-C4' energy: -106.924 flat angles P-C4'-P energy: -71.454 tors. eta vs tors. theta energy: 24.340 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: 2 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2733.328813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.328813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.328813 (E_RNA) where: Base-Base interactions energy: -1897.237 where: short stacking energy: -795.664 Base-Backbone interact. energy: -0.244 local terms energy: -835.847468 where: bonds (distance) C4'-P energy: -167.052 bonds (distance) P-C4' energy: -170.625 flat angles C4'-P-C4' energy: -194.209 flat angles P-C4'-P energy: -103.897 tors. eta vs tors. theta energy: -200.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2620.571478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.571478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.571478 (E_RNA) where: Base-Base interactions energy: -1755.694 where: short stacking energy: -833.511 Base-Backbone interact. energy: -4.105 local terms energy: -860.772686 where: bonds (distance) C4'-P energy: -163.992 bonds (distance) P-C4' energy: -143.418 flat angles C4'-P-C4' energy: -194.310 flat angles P-C4'-P energy: -115.979 tors. eta vs tors. theta energy: -243.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2541.241209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.241209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.241209 (E_RNA) where: Base-Base interactions energy: -1748.914 where: short stacking energy: -780.154 Base-Backbone interact. energy: 2.507 local terms energy: -794.834642 where: bonds (distance) C4'-P energy: -146.121 bonds (distance) P-C4' energy: -145.588 flat angles C4'-P-C4' energy: -173.068 flat angles P-C4'-P energy: -112.718 tors. eta vs tors. theta energy: -217.340 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: 9 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2336.710657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.710657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.710657 (E_RNA) where: Base-Base interactions energy: -1573.670 where: short stacking energy: -654.912 Base-Backbone interact. energy: -2.687 local terms energy: -760.354241 where: bonds (distance) C4'-P energy: -144.262 bonds (distance) P-C4' energy: -157.750 flat angles C4'-P-C4' energy: -183.078 flat angles P-C4'-P energy: -113.517 tors. eta vs tors. theta energy: -161.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2120.818654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.818654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.818654 (E_RNA) where: Base-Base interactions energy: -1375.321 where: short stacking energy: -621.993 Base-Backbone interact. energy: -0.771 local terms energy: -744.726354 where: bonds (distance) C4'-P energy: -146.360 bonds (distance) P-C4' energy: -176.189 flat angles C4'-P-C4' energy: -152.715 flat angles P-C4'-P energy: -106.882 tors. eta vs tors. theta energy: -162.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1808.428159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.428159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.428159 (E_RNA) where: Base-Base interactions energy: -1188.186 where: short stacking energy: -528.678 Base-Backbone interact. energy: -2.939 local terms energy: -617.302935 where: bonds (distance) C4'-P energy: -127.067 bonds (distance) P-C4' energy: -146.788 flat angles C4'-P-C4' energy: -140.204 flat angles P-C4'-P energy: -88.036 tors. eta vs tors. theta energy: -115.208 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: 297 Temperature: 1.200000 Total energy: -1485.443098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.443098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.443098 (E_RNA) where: Base-Base interactions energy: -920.210 where: short stacking energy: -429.230 Base-Backbone interact. energy: 2.395 local terms energy: -567.628783 where: bonds (distance) C4'-P energy: -131.820 bonds (distance) P-C4' energy: -140.795 flat angles C4'-P-C4' energy: -145.046 flat angles P-C4'-P energy: -76.721 tors. eta vs tors. theta energy: -73.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1387.057947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.057947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.057947 (E_RNA) where: Base-Base interactions energy: -848.496 where: short stacking energy: -392.908 Base-Backbone interact. energy: -0.948 local terms energy: -537.613659 where: bonds (distance) C4'-P energy: -134.334 bonds (distance) P-C4' energy: -149.867 flat angles C4'-P-C4' energy: -127.230 flat angles P-C4'-P energy: -69.518 tors. eta vs tors. theta energy: -56.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1033.077509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.077509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.077509 (E_RNA) where: Base-Base interactions energy: -572.853 where: short stacking energy: -268.767 Base-Backbone interact. energy: 2.772 local terms energy: -462.996048 where: bonds (distance) C4'-P energy: -137.314 bonds (distance) P-C4' energy: -136.030 flat angles C4'-P-C4' energy: -122.189 flat angles P-C4'-P energy: -67.121 tors. eta vs tors. theta energy: -0.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -691.664777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.664777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.664777 (E_RNA) where: Base-Base interactions energy: -270.716 where: short stacking energy: -205.044 Base-Backbone interact. energy: 5.225 local terms energy: -426.173649 where: bonds (distance) C4'-P energy: -155.449 bonds (distance) P-C4' energy: -125.984 flat angles C4'-P-C4' energy: -98.736 flat angles P-C4'-P energy: -63.247 tors. eta vs tors. theta energy: 17.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2733.993022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.993022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.993022 (E_RNA) where: Base-Base interactions energy: -1895.803 where: short stacking energy: -774.567 Base-Backbone interact. energy: -5.685 local terms energy: -832.504431 where: bonds (distance) C4'-P energy: -157.423 bonds (distance) P-C4' energy: -159.549 flat angles C4'-P-C4' energy: -183.930 flat angles P-C4'-P energy: -123.304 tors. eta vs tors. theta energy: -208.297 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: 1 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2617.874921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.874921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.874921 (E_RNA) where: Base-Base interactions energy: -1747.172 where: short stacking energy: -801.081 Base-Backbone interact. energy: -0.786 local terms energy: -869.916807 where: bonds (distance) C4'-P energy: -152.745 bonds (distance) P-C4' energy: -156.242 flat angles C4'-P-C4' energy: -192.062 flat angles P-C4'-P energy: -129.902 tors. eta vs tors. theta energy: -238.966 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: 3 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2556.016930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.016930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.016930 (E_RNA) where: Base-Base interactions energy: -1726.623 where: short stacking energy: -744.582 Base-Backbone interact. energy: -2.345 local terms energy: -827.048544 where: bonds (distance) C4'-P energy: -153.513 bonds (distance) P-C4' energy: -157.496 flat angles C4'-P-C4' energy: -176.044 flat angles P-C4'-P energy: -121.599 tors. eta vs tors. theta energy: -218.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2355.693409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.693409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.693409 (E_RNA) where: Base-Base interactions energy: -1591.188 where: short stacking energy: -704.088 Base-Backbone interact. energy: -4.783 local terms energy: -759.721932 where: bonds (distance) C4'-P energy: -140.132 bonds (distance) P-C4' energy: -130.677 flat angles C4'-P-C4' energy: -173.843 flat angles P-C4'-P energy: -123.549 tors. eta vs tors. theta energy: -191.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2118.721326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.721326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.721326 (E_RNA) where: Base-Base interactions energy: -1410.074 where: short stacking energy: -622.487 Base-Backbone interact. energy: -0.528 local terms energy: -708.118950 where: bonds (distance) C4'-P energy: -138.056 bonds (distance) P-C4' energy: -131.808 flat angles C4'-P-C4' energy: -173.966 flat angles P-C4'-P energy: -103.370 tors. eta vs tors. theta energy: -160.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1772.370748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.370748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.370748 (E_RNA) where: Base-Base interactions energy: -1136.622 where: short stacking energy: -523.844 Base-Backbone interact. energy: -0.148 local terms energy: -635.600988 where: bonds (distance) C4'-P energy: -137.130 bonds (distance) P-C4' energy: -160.248 flat angles C4'-P-C4' energy: -144.946 flat angles P-C4'-P energy: -84.879 tors. eta vs tors. theta energy: -108.399 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: 6 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1452.552217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.552217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.552217 (E_RNA) where: Base-Base interactions energy: -904.081 where: short stacking energy: -430.626 Base-Backbone interact. energy: 0.222 local terms energy: -548.693270 where: bonds (distance) C4'-P energy: -129.426 bonds (distance) P-C4' energy: -123.813 flat angles C4'-P-C4' energy: -150.076 flat angles P-C4'-P energy: -65.080 tors. eta vs tors. theta energy: -80.297 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: 8 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1335.169327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.169327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.169327 (E_RNA) where: Base-Base interactions energy: -793.942 where: short stacking energy: -370.351 Base-Backbone interact. energy: 0.802 local terms energy: -542.030195 where: bonds (distance) C4'-P energy: -108.847 bonds (distance) P-C4' energy: -156.869 flat angles C4'-P-C4' energy: -144.248 flat angles P-C4'-P energy: -100.692 tors. eta vs tors. theta energy: -31.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -991.565331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.565331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.565331 (E_RNA) where: Base-Base interactions energy: -558.897 where: short stacking energy: -303.359 Base-Backbone interact. energy: 2.222 local terms energy: -434.890449 where: bonds (distance) C4'-P energy: -118.539 bonds (distance) P-C4' energy: -134.507 flat angles C4'-P-C4' energy: -100.258 flat angles P-C4'-P energy: -79.606 tors. eta vs tors. theta energy: -1.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -679.454380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.454380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.454380 (E_RNA) where: Base-Base interactions energy: -306.584 where: short stacking energy: -191.139 Base-Backbone interact. energy: 5.423 local terms energy: -378.293313 where: bonds (distance) C4'-P energy: -117.940 bonds (distance) P-C4' energy: -139.248 flat angles C4'-P-C4' energy: -86.878 flat angles P-C4'-P energy: -63.121 tors. eta vs tors. theta energy: 28.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2726.258400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.258400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.258400 (E_RNA) where: Base-Base interactions energy: -1855.358 where: short stacking energy: -790.329 Base-Backbone interact. energy: -5.498 local terms energy: -865.402456 where: bonds (distance) C4'-P energy: -169.307 bonds (distance) P-C4' energy: -162.226 flat angles C4'-P-C4' energy: -194.287 flat angles P-C4'-P energy: -127.926 tors. eta vs tors. theta energy: -211.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2602.949604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.949604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.949604 (E_RNA) where: Base-Base interactions energy: -1781.983 where: short stacking energy: -787.467 Base-Backbone interact. energy: -6.830 local terms energy: -814.137372 where: bonds (distance) C4'-P energy: -144.611 bonds (distance) P-C4' energy: -170.518 flat angles C4'-P-C4' energy: -175.114 flat angles P-C4'-P energy: -109.086 tors. eta vs tors. theta energy: -214.809 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: 1 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2552.064806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.064806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.064806 (E_RNA) where: Base-Base interactions energy: -1730.695 where: short stacking energy: -769.665 Base-Backbone interact. energy: -2.643 local terms energy: -818.726596 where: bonds (distance) C4'-P energy: -135.355 bonds (distance) P-C4' energy: -155.104 flat angles C4'-P-C4' energy: -177.071 flat angles P-C4'-P energy: -118.829 tors. eta vs tors. theta energy: -232.368 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: 9 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2407.356024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.356024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.356024 (E_RNA) where: Base-Base interactions energy: -1666.726 where: short stacking energy: -756.074 Base-Backbone interact. energy: 0.869 local terms energy: -741.498570 where: bonds (distance) C4'-P energy: -148.594 bonds (distance) P-C4' energy: -131.116 flat angles C4'-P-C4' energy: -164.483 flat angles P-C4'-P energy: -98.260 tors. eta vs tors. theta energy: -199.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2141.805489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.805489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.805489 (E_RNA) where: Base-Base interactions energy: -1452.308 where: short stacking energy: -662.830 Base-Backbone interact. energy: -0.700 local terms energy: -688.798143 where: bonds (distance) C4'-P energy: -130.718 bonds (distance) P-C4' energy: -130.640 flat angles C4'-P-C4' energy: -154.678 flat angles P-C4'-P energy: -108.932 tors. eta vs tors. theta energy: -163.831 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: 5 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1836.367542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.367542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.367542 (E_RNA) where: Base-Base interactions energy: -1171.666 where: short stacking energy: -554.725 Base-Backbone interact. energy: -3.859 local terms energy: -660.842543 where: bonds (distance) C4'-P energy: -144.897 bonds (distance) P-C4' energy: -160.931 flat angles C4'-P-C4' energy: -139.652 flat angles P-C4'-P energy: -96.190 tors. eta vs tors. theta energy: -119.172 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: 6 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1404.283685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.283685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.283685 (E_RNA) where: Base-Base interactions energy: -841.861 where: short stacking energy: -410.866 Base-Backbone interact. energy: -2.759 local terms energy: -559.663307 where: bonds (distance) C4'-P energy: -132.070 bonds (distance) P-C4' energy: -145.217 flat angles C4'-P-C4' energy: -131.962 flat angles P-C4'-P energy: -68.711 tors. eta vs tors. theta energy: -81.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1375.231954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.231954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.231954 (E_RNA) where: Base-Base interactions energy: -828.673 where: short stacking energy: -388.187 Base-Backbone interact. energy: -1.347 local terms energy: -545.211116 where: bonds (distance) C4'-P energy: -121.410 bonds (distance) P-C4' energy: -148.362 flat angles C4'-P-C4' energy: -148.059 flat angles P-C4'-P energy: -84.946 tors. eta vs tors. theta energy: -42.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1042.146743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.146743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.146743 (E_RNA) where: Base-Base interactions energy: -566.363 where: short stacking energy: -294.498 Base-Backbone interact. energy: -3.931 local terms energy: -471.852479 where: bonds (distance) C4'-P energy: -136.462 bonds (distance) P-C4' energy: -130.180 flat angles C4'-P-C4' energy: -122.574 flat angles P-C4'-P energy: -63.915 tors. eta vs tors. theta energy: -18.721 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: 10, replica: 10 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -643.830379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.830379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.830379 (E_RNA) where: Base-Base interactions energy: -236.352 where: short stacking energy: -168.130 Base-Backbone interact. energy: 0.840 local terms energy: -408.318753 where: bonds (distance) C4'-P energy: -123.512 bonds (distance) P-C4' energy: -128.818 flat angles C4'-P-C4' energy: -124.205 flat angles P-C4'-P energy: -55.107 tors. eta vs tors. theta energy: 23.323 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: 1, replica: 2 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2741.075516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.075516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.075516 (E_RNA) where: Base-Base interactions energy: -1909.548 where: short stacking energy: -828.397 Base-Backbone interact. energy: -6.459 local terms energy: -825.068173 where: bonds (distance) C4'-P energy: -154.348 bonds (distance) P-C4' energy: -154.556 flat angles C4'-P-C4' energy: -186.030 flat angles P-C4'-P energy: -115.035 tors. eta vs tors. theta energy: -215.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2630.523965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.523965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.523965 (E_RNA) where: Base-Base interactions energy: -1800.001 where: short stacking energy: -780.667 Base-Backbone interact. energy: -0.162 local terms energy: -830.360788 where: bonds (distance) C4'-P energy: -143.733 bonds (distance) P-C4' energy: -157.394 flat angles C4'-P-C4' energy: -178.230 flat angles P-C4'-P energy: -126.345 tors. eta vs tors. theta energy: -224.658 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: 3, replica: 1 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2536.974934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.974934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.974934 (E_RNA) where: Base-Base interactions energy: -1688.476 where: short stacking energy: -777.553 Base-Backbone interact. energy: -2.703 local terms energy: -845.796547 where: bonds (distance) C4'-P energy: -152.521 bonds (distance) P-C4' energy: -159.797 flat angles C4'-P-C4' energy: -169.775 flat angles P-C4'-P energy: -125.952 tors. eta vs tors. theta energy: -237.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2365.127173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.127173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.127173 (E_RNA) where: Base-Base interactions energy: -1585.182 where: short stacking energy: -659.462 Base-Backbone interact. energy: -2.607 local terms energy: -777.338214 where: bonds (distance) C4'-P energy: -158.113 bonds (distance) P-C4' energy: -162.260 flat angles C4'-P-C4' energy: -176.125 flat angles P-C4'-P energy: -91.265 tors. eta vs tors. theta energy: -189.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2144.168203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.168203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.168203 (E_RNA) where: Base-Base interactions energy: -1455.982 where: short stacking energy: -640.650 Base-Backbone interact. energy: 1.435 local terms energy: -689.621769 where: bonds (distance) C4'-P energy: -144.968 bonds (distance) P-C4' energy: -148.183 flat angles C4'-P-C4' energy: -147.855 flat angles P-C4'-P energy: -86.676 tors. eta vs tors. theta energy: -161.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1901.402231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.402231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.402231 (E_RNA) where: Base-Base interactions energy: -1239.493 where: short stacking energy: -545.936 Base-Backbone interact. energy: -1.639 local terms energy: -660.270283 where: bonds (distance) C4'-P energy: -148.298 bonds (distance) P-C4' energy: -137.144 flat angles C4'-P-C4' energy: -151.073 flat angles P-C4'-P energy: -91.235 tors. eta vs tors. theta energy: -132.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1378.371579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.371579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.371579 (E_RNA) where: Base-Base interactions energy: -842.222 where: short stacking energy: -413.778 Base-Backbone interact. energy: 3.924 local terms energy: -540.073256 where: bonds (distance) C4'-P energy: -151.338 bonds (distance) P-C4' energy: -127.952 flat angles C4'-P-C4' energy: -139.931 flat angles P-C4'-P energy: -68.845 tors. eta vs tors. theta energy: -52.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1290.256144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.256144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.256144 (E_RNA) where: Base-Base interactions energy: -772.256 where: short stacking energy: -379.351 Base-Backbone interact. energy: -0.350 local terms energy: -517.649660 where: bonds (distance) C4'-P energy: -126.917 bonds (distance) P-C4' energy: -133.061 flat angles C4'-P-C4' energy: -128.527 flat angles P-C4'-P energy: -70.891 tors. eta vs tors. theta energy: -58.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1007.306861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.306861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.306861 (E_RNA) where: Base-Base interactions energy: -523.724 where: short stacking energy: -295.858 Base-Backbone interact. energy: -2.480 local terms energy: -481.103157 where: bonds (distance) C4'-P energy: -127.580 bonds (distance) P-C4' energy: -128.293 flat angles C4'-P-C4' energy: -140.736 flat angles P-C4'-P energy: -58.228 tors. eta vs tors. theta energy: -26.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -680.133845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.133845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.133845 (E_RNA) where: Base-Base interactions energy: -279.665 where: short stacking energy: -205.145 Base-Backbone interact. energy: -0.597 local terms energy: -399.872173 where: bonds (distance) C4'-P energy: -123.304 bonds (distance) P-C4' energy: -122.509 flat angles C4'-P-C4' energy: -101.220 flat angles P-C4'-P energy: -75.669 tors. eta vs tors. theta energy: 22.830 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: 1, replica: 2 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2725.057821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.057821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.057821 (E_RNA) where: Base-Base interactions energy: -1897.623 where: short stacking energy: -780.422 Base-Backbone interact. energy: -9.947 local terms energy: -817.488324 where: bonds (distance) C4'-P energy: -165.329 bonds (distance) P-C4' energy: -156.225 flat angles C4'-P-C4' energy: -179.789 flat angles P-C4'-P energy: -112.767 tors. eta vs tors. theta energy: -203.379 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: 3 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2611.797771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.797771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.797771 (E_RNA) where: Base-Base interactions energy: -1773.351 where: short stacking energy: -788.295 Base-Backbone interact. energy: -5.135 local terms energy: -833.312132 where: bonds (distance) C4'-P energy: -157.194 bonds (distance) P-C4' energy: -173.439 flat angles C4'-P-C4' energy: -174.988 flat angles P-C4'-P energy: -124.648 tors. eta vs tors. theta energy: -203.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2566.759400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.759400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.759400 (E_RNA) where: Base-Base interactions energy: -1747.110 where: short stacking energy: -776.358 Base-Backbone interact. energy: 0.715 local terms energy: -820.364486 where: bonds (distance) C4'-P energy: -144.367 bonds (distance) P-C4' energy: -153.562 flat angles C4'-P-C4' energy: -178.195 flat angles P-C4'-P energy: -115.909 tors. eta vs tors. theta energy: -228.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2321.451017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.451017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.451017 (E_RNA) where: Base-Base interactions energy: -1596.814 where: short stacking energy: -655.273 Base-Backbone interact. energy: -2.384 local terms energy: -722.253291 where: bonds (distance) C4'-P energy: -145.338 bonds (distance) P-C4' energy: -124.455 flat angles C4'-P-C4' energy: -164.519 flat angles P-C4'-P energy: -110.087 tors. eta vs tors. theta energy: -177.854 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: 301 Temperature: 1.100000 Total energy: -2172.918424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.918424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.918424 (E_RNA) where: Base-Base interactions energy: -1464.131 where: short stacking energy: -644.183 Base-Backbone interact. energy: -3.223 local terms energy: -705.563691 where: bonds (distance) C4'-P energy: -117.301 bonds (distance) P-C4' energy: -148.219 flat angles C4'-P-C4' energy: -159.329 flat angles P-C4'-P energy: -116.858 tors. eta vs tors. theta energy: -163.856 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: 5 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1796.890883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.890883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.890883 (E_RNA) where: Base-Base interactions energy: -1131.570 where: short stacking energy: -540.631 Base-Backbone interact. energy: 5.516 local terms energy: -670.836836 where: bonds (distance) C4'-P energy: -140.004 bonds (distance) P-C4' energy: -143.261 flat angles C4'-P-C4' energy: -162.815 flat angles P-C4'-P energy: -88.997 tors. eta vs tors. theta energy: -135.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1422.542767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.542767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.542767 (E_RNA) where: Base-Base interactions energy: -860.772 where: short stacking energy: -405.136 Base-Backbone interact. energy: 0.133 local terms energy: -561.902923 where: bonds (distance) C4'-P energy: -115.184 bonds (distance) P-C4' energy: -157.812 flat angles C4'-P-C4' energy: -134.230 flat angles P-C4'-P energy: -86.078 tors. eta vs tors. theta energy: -68.599 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: 6 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1143.918856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.918856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.918856 (E_RNA) where: Base-Base interactions energy: -624.281 where: short stacking energy: -335.760 Base-Backbone interact. energy: 0.252 local terms energy: -519.889608 where: bonds (distance) C4'-P energy: -149.614 bonds (distance) P-C4' energy: -136.051 flat angles C4'-P-C4' energy: -132.279 flat angles P-C4'-P energy: -76.857 tors. eta vs tors. theta energy: -25.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -965.898696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.898696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.898696 (E_RNA) where: Base-Base interactions energy: -505.955 where: short stacking energy: -291.123 Base-Backbone interact. energy: 2.066 local terms energy: -462.009482 where: bonds (distance) C4'-P energy: -141.508 bonds (distance) P-C4' energy: -141.574 flat angles C4'-P-C4' energy: -123.260 flat angles P-C4'-P energy: -49.661 tors. eta vs tors. theta energy: -6.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -706.420983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.420983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.420983 (E_RNA) where: Base-Base interactions energy: -282.049 where: short stacking energy: -207.655 Base-Backbone interact. energy: 1.756 local terms energy: -426.128608 where: bonds (distance) C4'-P energy: -135.748 bonds (distance) P-C4' energy: -138.709 flat angles C4'-P-C4' energy: -123.297 flat angles P-C4'-P energy: -42.881 tors. eta vs tors. theta energy: 14.506 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: 2 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2737.860300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.860300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.860300 (E_RNA) where: Base-Base interactions energy: -1904.539 where: short stacking energy: -790.879 Base-Backbone interact. energy: -0.958 local terms energy: -832.363539 where: bonds (distance) C4'-P energy: -150.317 bonds (distance) P-C4' energy: -166.839 flat angles C4'-P-C4' energy: -189.470 flat angles P-C4'-P energy: -121.961 tors. eta vs tors. theta energy: -203.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2594.119442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.119442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.119442 (E_RNA) where: Base-Base interactions energy: -1785.377 where: short stacking energy: -768.945 Base-Backbone interact. energy: -4.964 local terms energy: -803.778597 where: bonds (distance) C4'-P energy: -160.349 bonds (distance) P-C4' energy: -153.954 flat angles C4'-P-C4' energy: -176.871 flat angles P-C4'-P energy: -120.049 tors. eta vs tors. theta energy: -192.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2539.340074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.340074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.340074 (E_RNA) where: Base-Base interactions energy: -1710.527 where: short stacking energy: -734.003 Base-Backbone interact. energy: -1.979 local terms energy: -826.833908 where: bonds (distance) C4'-P energy: -150.937 bonds (distance) P-C4' energy: -160.800 flat angles C4'-P-C4' energy: -170.211 flat angles P-C4'-P energy: -125.956 tors. eta vs tors. theta energy: -218.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2266.401865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.401865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.401865 (E_RNA) where: Base-Base interactions energy: -1511.067 where: short stacking energy: -667.126 Base-Backbone interact. energy: -2.761 local terms energy: -752.574129 where: bonds (distance) C4'-P energy: -139.570 bonds (distance) P-C4' energy: -148.026 flat angles C4'-P-C4' energy: -168.055 flat angles P-C4'-P energy: -118.937 tors. eta vs tors. theta energy: -177.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2160.307303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.307303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.307303 (E_RNA) where: Base-Base interactions energy: -1412.867 where: short stacking energy: -638.813 Base-Backbone interact. energy: -0.088 local terms energy: -747.352099 where: bonds (distance) C4'-P energy: -165.231 bonds (distance) P-C4' energy: -141.919 flat angles C4'-P-C4' energy: -172.257 flat angles P-C4'-P energy: -104.133 tors. eta vs tors. theta energy: -163.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1809.693655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.693655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.693655 (E_RNA) where: Base-Base interactions energy: -1165.486 where: short stacking energy: -533.239 Base-Backbone interact. energy: 1.158 local terms energy: -645.365885 where: bonds (distance) C4'-P energy: -151.941 bonds (distance) P-C4' energy: -149.823 flat angles C4'-P-C4' energy: -143.469 flat angles P-C4'-P energy: -81.301 tors. eta vs tors. theta energy: -118.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1424.059977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.059977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.059977 (E_RNA) where: Base-Base interactions energy: -863.523 where: short stacking energy: -441.208 Base-Backbone interact. energy: 0.250 local terms energy: -560.787532 where: bonds (distance) C4'-P energy: -135.694 bonds (distance) P-C4' energy: -134.038 flat angles C4'-P-C4' energy: -140.893 flat angles P-C4'-P energy: -72.520 tors. eta vs tors. theta energy: -77.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1120.746783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.746783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.746783 (E_RNA) where: Base-Base interactions energy: -623.093 where: short stacking energy: -329.373 Base-Backbone interact. energy: -5.847 local terms energy: -491.807343 where: bonds (distance) C4'-P energy: -121.123 bonds (distance) P-C4' energy: -149.215 flat angles C4'-P-C4' energy: -117.026 flat angles P-C4'-P energy: -71.787 tors. eta vs tors. theta energy: -32.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -941.509192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.509192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.509192 (E_RNA) where: Base-Base interactions energy: -506.512 where: short stacking energy: -276.984 Base-Backbone interact. energy: 0.068 local terms energy: -435.065212 where: bonds (distance) C4'-P energy: -123.878 bonds (distance) P-C4' energy: -130.703 flat angles C4'-P-C4' energy: -102.386 flat angles P-C4'-P energy: -64.567 tors. eta vs tors. theta energy: -13.533 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: 10 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -688.591089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.591089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.591089 (E_RNA) where: Base-Base interactions energy: -317.565 where: short stacking energy: -219.102 Base-Backbone interact. energy: 4.661 local terms energy: -375.686672 where: bonds (distance) C4'-P energy: -113.747 bonds (distance) P-C4' energy: -141.538 flat angles C4'-P-C4' energy: -97.849 flat angles P-C4'-P energy: -36.604 tors. eta vs tors. theta energy: 14.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2711.178769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.178769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.178769 (E_RNA) where: Base-Base interactions energy: -1881.568 where: short stacking energy: -797.697 Base-Backbone interact. energy: -2.129 local terms energy: -827.482542 where: bonds (distance) C4'-P energy: -154.223 bonds (distance) P-C4' energy: -170.965 flat angles C4'-P-C4' energy: -178.697 flat angles P-C4'-P energy: -122.992 tors. eta vs tors. theta energy: -200.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2551.111318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.111318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.111318 (E_RNA) where: Base-Base interactions energy: -1732.831 where: short stacking energy: -751.568 Base-Backbone interact. energy: -1.324 local terms energy: -816.956341 where: bonds (distance) C4'-P energy: -150.870 bonds (distance) P-C4' energy: -149.631 flat angles C4'-P-C4' energy: -189.742 flat angles P-C4'-P energy: -120.699 tors. eta vs tors. theta energy: -206.015 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: 1 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2534.696649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.696649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.696649 (E_RNA) where: Base-Base interactions energy: -1714.805 where: short stacking energy: -780.055 Base-Backbone interact. energy: -1.668 local terms energy: -818.223771 where: bonds (distance) C4'-P energy: -139.585 bonds (distance) P-C4' energy: -142.990 flat angles C4'-P-C4' energy: -175.371 flat angles P-C4'-P energy: -126.902 tors. eta vs tors. theta energy: -233.375 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: 4, replica: 9 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2317.247087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.247087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.247087 (E_RNA) where: Base-Base interactions energy: -1574.329 where: short stacking energy: -690.983 Base-Backbone interact. energy: -0.542 local terms energy: -742.376352 where: bonds (distance) C4'-P energy: -156.707 bonds (distance) P-C4' energy: -151.202 flat angles C4'-P-C4' energy: -151.617 flat angles P-C4'-P energy: -111.540 tors. eta vs tors. theta energy: -171.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2196.107919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.107919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.107919 (E_RNA) where: Base-Base interactions energy: -1467.480 where: short stacking energy: -633.867 Base-Backbone interact. energy: -0.439 local terms energy: -728.189211 where: bonds (distance) C4'-P energy: -138.431 bonds (distance) P-C4' energy: -145.800 flat angles C4'-P-C4' energy: -169.294 flat angles P-C4'-P energy: -108.080 tors. eta vs tors. theta energy: -166.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1782.335080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.335080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.335080 (E_RNA) where: Base-Base interactions energy: -1153.678 where: short stacking energy: -487.352 Base-Backbone interact. energy: -1.853 local terms energy: -626.803660 where: bonds (distance) C4'-P energy: -127.291 bonds (distance) P-C4' energy: -143.923 flat angles C4'-P-C4' energy: -145.838 flat angles P-C4'-P energy: -108.460 tors. eta vs tors. theta energy: -101.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1506.648425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.648425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.648425 (E_RNA) where: Base-Base interactions energy: -944.433 where: short stacking energy: -426.042 Base-Backbone interact. energy: 0.290 local terms energy: -562.505121 where: bonds (distance) C4'-P energy: -142.563 bonds (distance) P-C4' energy: -140.676 flat angles C4'-P-C4' energy: -146.081 flat angles P-C4'-P energy: -76.639 tors. eta vs tors. theta energy: -56.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1119.338799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.338799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.338799 (E_RNA) where: Base-Base interactions energy: -600.134 where: short stacking energy: -300.895 Base-Backbone interact. energy: 0.446 local terms energy: -519.650793 where: bonds (distance) C4'-P energy: -138.206 bonds (distance) P-C4' energy: -125.796 flat angles C4'-P-C4' energy: -135.425 flat angles P-C4'-P energy: -92.508 tors. eta vs tors. theta energy: -27.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1029.960839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.960839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.960839 (E_RNA) where: Base-Base interactions energy: -560.768 where: short stacking energy: -311.775 Base-Backbone interact. energy: -3.890 local terms energy: -465.303006 where: bonds (distance) C4'-P energy: -120.248 bonds (distance) P-C4' energy: -145.995 flat angles C4'-P-C4' energy: -115.885 flat angles P-C4'-P energy: -52.646 tors. eta vs tors. theta energy: -30.529 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: 10 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -741.990650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.990650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.990650 (E_RNA) where: Base-Base interactions energy: -317.496 where: short stacking energy: -208.865 Base-Backbone interact. energy: -0.777 local terms energy: -423.718360 where: bonds (distance) C4'-P energy: -101.531 bonds (distance) P-C4' energy: -152.938 flat angles C4'-P-C4' energy: -101.471 flat angles P-C4'-P energy: -77.326 tors. eta vs tors. theta energy: 9.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2708.723216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.723216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.723216 (E_RNA) where: Base-Base interactions energy: -1866.954 where: short stacking energy: -768.598 Base-Backbone interact. energy: 1.258 local terms energy: -843.027600 where: bonds (distance) C4'-P energy: -178.403 bonds (distance) P-C4' energy: -159.611 flat angles C4'-P-C4' energy: -181.563 flat angles P-C4'-P energy: -121.296 tors. eta vs tors. theta energy: -202.156 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: 3 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2580.508192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.508192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.508192 (E_RNA) where: Base-Base interactions energy: -1722.194 where: short stacking energy: -755.920 Base-Backbone interact. energy: -1.679 local terms energy: -856.635516 where: bonds (distance) C4'-P energy: -146.204 bonds (distance) P-C4' energy: -159.902 flat angles C4'-P-C4' energy: -187.820 flat angles P-C4'-P energy: -135.389 tors. eta vs tors. theta energy: -227.320 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: 1 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2544.858958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.858958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.858958 (E_RNA) where: Base-Base interactions energy: -1691.275 where: short stacking energy: -748.459 Base-Backbone interact. energy: -1.790 local terms energy: -851.793491 where: bonds (distance) C4'-P energy: -157.385 bonds (distance) P-C4' energy: -155.887 flat angles C4'-P-C4' energy: -189.902 flat angles P-C4'-P energy: -125.882 tors. eta vs tors. theta energy: -222.736 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: 9 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2311.825877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.825877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.825877 (E_RNA) where: Base-Base interactions energy: -1551.435 where: short stacking energy: -680.356 Base-Backbone interact. energy: -0.257 local terms energy: -760.133800 where: bonds (distance) C4'-P energy: -152.948 bonds (distance) P-C4' energy: -157.673 flat angles C4'-P-C4' energy: -166.561 flat angles P-C4'-P energy: -99.570 tors. eta vs tors. theta energy: -183.383 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: 5, replica: 4 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2177.892598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.892598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.892598 (E_RNA) where: Base-Base interactions energy: -1469.471 where: short stacking energy: -624.898 Base-Backbone interact. energy: -1.301 local terms energy: -707.120520 where: bonds (distance) C4'-P energy: -138.239 bonds (distance) P-C4' energy: -158.077 flat angles C4'-P-C4' energy: -154.516 flat angles P-C4'-P energy: -103.247 tors. eta vs tors. theta energy: -153.041 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: 5 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1750.512667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.512667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.512667 (E_RNA) where: Base-Base interactions energy: -1138.753 where: short stacking energy: -499.632 Base-Backbone interact. energy: -2.653 local terms energy: -609.106408 where: bonds (distance) C4'-P energy: -126.126 bonds (distance) P-C4' energy: -155.440 flat angles C4'-P-C4' energy: -145.609 flat angles P-C4'-P energy: -79.572 tors. eta vs tors. theta energy: -102.360 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: 8 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1515.729834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.729834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.729834 (E_RNA) where: Base-Base interactions energy: -943.271 where: short stacking energy: -419.441 Base-Backbone interact. energy: -0.255 local terms energy: -572.203303 where: bonds (distance) C4'-P energy: -122.069 bonds (distance) P-C4' energy: -135.527 flat angles C4'-P-C4' energy: -148.325 flat angles P-C4'-P energy: -84.276 tors. eta vs tors. theta energy: -82.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1062.743406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.743406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.743406 (E_RNA) where: Base-Base interactions energy: -594.066 where: short stacking energy: -340.346 Base-Backbone interact. energy: 0.092 local terms energy: -468.769131 where: bonds (distance) C4'-P energy: -122.973 bonds (distance) P-C4' energy: -128.421 flat angles C4'-P-C4' energy: -112.305 flat angles P-C4'-P energy: -78.841 tors. eta vs tors. theta energy: -26.229 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: 7 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1008.218836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.218836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.218836 (E_RNA) where: Base-Base interactions energy: -499.703 where: short stacking energy: -287.607 Base-Backbone interact. energy: -1.686 local terms energy: -506.830310 where: bonds (distance) C4'-P energy: -112.873 bonds (distance) P-C4' energy: -141.774 flat angles C4'-P-C4' energy: -145.048 flat angles P-C4'-P energy: -70.607 tors. eta vs tors. theta energy: -36.529 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: 10 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -732.544616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.544616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.544616 (E_RNA) where: Base-Base interactions energy: -309.485 where: short stacking energy: -211.594 Base-Backbone interact. energy: -0.420 local terms energy: -422.639897 where: bonds (distance) C4'-P energy: -138.687 bonds (distance) P-C4' energy: -107.863 flat angles C4'-P-C4' energy: -126.868 flat angles P-C4'-P energy: -50.629 tors. eta vs tors. theta energy: 1.409 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: 2 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2724.789863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.789863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.789863 (E_RNA) where: Base-Base interactions energy: -1913.644 where: short stacking energy: -796.749 Base-Backbone interact. energy: -4.179 local terms energy: -806.967226 where: bonds (distance) C4'-P energy: -148.803 bonds (distance) P-C4' energy: -152.940 flat angles C4'-P-C4' energy: -171.320 flat angles P-C4'-P energy: -129.320 tors. eta vs tors. theta energy: -204.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2563.272183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.272183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.272183 (E_RNA) where: Base-Base interactions energy: -1778.610 where: short stacking energy: -784.419 Base-Backbone interact. energy: -1.011 local terms energy: -783.651564 where: bonds (distance) C4'-P energy: -138.938 bonds (distance) P-C4' energy: -153.795 flat angles C4'-P-C4' energy: -167.823 flat angles P-C4'-P energy: -113.044 tors. eta vs tors. theta energy: -210.052 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: 3, replica: 1 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2522.457095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.457095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.457095 (E_RNA) where: Base-Base interactions energy: -1707.205 where: short stacking energy: -766.850 Base-Backbone interact. energy: -1.184 local terms energy: -814.067597 where: bonds (distance) C4'-P energy: -151.160 bonds (distance) P-C4' energy: -147.192 flat angles C4'-P-C4' energy: -175.627 flat angles P-C4'-P energy: -120.822 tors. eta vs tors. theta energy: -219.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2293.785366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.785366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.785366 (E_RNA) where: Base-Base interactions energy: -1583.882 where: short stacking energy: -704.583 Base-Backbone interact. energy: -1.494 local terms energy: -708.408711 where: bonds (distance) C4'-P energy: -135.449 bonds (distance) P-C4' energy: -130.075 flat angles C4'-P-C4' energy: -163.487 flat angles P-C4'-P energy: -106.029 tors. eta vs tors. theta energy: -173.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2234.401369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.401369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.401369 (E_RNA) where: Base-Base interactions energy: -1518.661 where: short stacking energy: -666.401 Base-Backbone interact. energy: -2.340 local terms energy: -713.400800 where: bonds (distance) C4'-P energy: -132.984 bonds (distance) P-C4' energy: -169.214 flat angles C4'-P-C4' energy: -157.294 flat angles P-C4'-P energy: -78.395 tors. eta vs tors. theta energy: -175.513 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: 6, replica: 5 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1854.891479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.891479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.891479 (E_RNA) where: Base-Base interactions energy: -1167.406 where: short stacking energy: -543.277 Base-Backbone interact. energy: -1.528 local terms energy: -685.957667 where: bonds (distance) C4'-P energy: -138.343 bonds (distance) P-C4' energy: -161.536 flat angles C4'-P-C4' energy: -160.743 flat angles P-C4'-P energy: -92.839 tors. eta vs tors. theta energy: -132.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1484.166571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.166571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.166571 (E_RNA) where: Base-Base interactions energy: -900.797 where: short stacking energy: -438.491 Base-Backbone interact. energy: -3.467 local terms energy: -579.903100 where: bonds (distance) C4'-P energy: -141.357 bonds (distance) P-C4' energy: -140.750 flat angles C4'-P-C4' energy: -139.362 flat angles P-C4'-P energy: -77.869 tors. eta vs tors. theta energy: -80.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1035.009063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.009063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.009063 (E_RNA) where: Base-Base interactions energy: -539.396 where: short stacking energy: -293.840 Base-Backbone interact. energy: -4.426 local terms energy: -491.186751 where: bonds (distance) C4'-P energy: -141.077 bonds (distance) P-C4' energy: -127.050 flat angles C4'-P-C4' energy: -134.040 flat angles P-C4'-P energy: -72.402 tors. eta vs tors. theta energy: -16.618 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: 9, replica: 7 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -971.829718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.829718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.829718 (E_RNA) where: Base-Base interactions energy: -486.969 where: short stacking energy: -283.736 Base-Backbone interact. energy: 5.202 local terms energy: -490.062112 where: bonds (distance) C4'-P energy: -136.229 bonds (distance) P-C4' energy: -114.805 flat angles C4'-P-C4' energy: -132.460 flat angles P-C4'-P energy: -86.955 tors. eta vs tors. theta energy: -19.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -687.718689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.718689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.718689 (E_RNA) where: Base-Base interactions energy: -290.066 where: short stacking energy: -217.710 Base-Backbone interact. energy: 1.455 local terms energy: -399.108317 where: bonds (distance) C4'-P energy: -143.820 bonds (distance) P-C4' energy: -131.744 flat angles C4'-P-C4' energy: -102.510 flat angles P-C4'-P energy: -49.362 tors. eta vs tors. theta energy: 28.328 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: 2 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2703.299845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.299845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.299845 (E_RNA) where: Base-Base interactions energy: -1860.224 where: short stacking energy: -788.754 Base-Backbone interact. energy: -1.159 local terms energy: -841.917235 where: bonds (distance) C4'-P energy: -150.849 bonds (distance) P-C4' energy: -165.909 flat angles C4'-P-C4' energy: -193.676 flat angles P-C4'-P energy: -116.638 tors. eta vs tors. theta energy: -214.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2605.895308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.895308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.895308 (E_RNA) where: Base-Base interactions energy: -1769.857 where: short stacking energy: -809.049 Base-Backbone interact. energy: 0.235 local terms energy: -836.273549 where: bonds (distance) C4'-P energy: -147.017 bonds (distance) P-C4' energy: -166.791 flat angles C4'-P-C4' energy: -193.161 flat angles P-C4'-P energy: -112.529 tors. eta vs tors. theta energy: -216.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2531.854525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.854525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.854525 (E_RNA) where: Base-Base interactions energy: -1727.173 where: short stacking energy: -770.515 Base-Backbone interact. energy: -4.188 local terms energy: -800.492798 where: bonds (distance) C4'-P energy: -141.616 bonds (distance) P-C4' energy: -148.010 flat angles C4'-P-C4' energy: -167.213 flat angles P-C4'-P energy: -120.633 tors. eta vs tors. theta energy: -223.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2343.020626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.020626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.020626 (E_RNA) where: Base-Base interactions energy: -1599.113 where: short stacking energy: -713.375 Base-Backbone interact. energy: -3.197 local terms energy: -740.711182 where: bonds (distance) C4'-P energy: -136.647 bonds (distance) P-C4' energy: -140.809 flat angles C4'-P-C4' energy: -160.001 flat angles P-C4'-P energy: -117.494 tors. eta vs tors. theta energy: -185.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2144.213368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.213368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.213368 (E_RNA) where: Base-Base interactions energy: -1441.946 where: short stacking energy: -635.454 Base-Backbone interact. energy: -0.734 local terms energy: -701.533197 where: bonds (distance) C4'-P energy: -137.732 bonds (distance) P-C4' energy: -151.088 flat angles C4'-P-C4' energy: -148.645 flat angles P-C4'-P energy: -104.812 tors. eta vs tors. theta energy: -159.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1926.283884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.283884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.283884 (E_RNA) where: Base-Base interactions energy: -1275.705 where: short stacking energy: -537.116 Base-Backbone interact. energy: 0.704 local terms energy: -651.282683 where: bonds (distance) C4'-P energy: -134.020 bonds (distance) P-C4' energy: -134.552 flat angles C4'-P-C4' energy: -164.930 flat angles P-C4'-P energy: -89.669 tors. eta vs tors. theta energy: -128.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1465.658111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.658111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.658111 (E_RNA) where: Base-Base interactions energy: -904.684 where: short stacking energy: -437.553 Base-Backbone interact. energy: -2.740 local terms energy: -558.234156 where: bonds (distance) C4'-P energy: -115.483 bonds (distance) P-C4' energy: -144.158 flat angles C4'-P-C4' energy: -135.342 flat angles P-C4'-P energy: -82.242 tors. eta vs tors. theta energy: -81.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1062.455300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.455300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.455300 (E_RNA) where: Base-Base interactions energy: -566.460 where: short stacking energy: -304.397 Base-Backbone interact. energy: -0.893 local terms energy: -495.102017 where: bonds (distance) C4'-P energy: -137.850 bonds (distance) P-C4' energy: -140.549 flat angles C4'-P-C4' energy: -136.165 flat angles P-C4'-P energy: -63.569 tors. eta vs tors. theta energy: -16.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -905.635005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.635005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.635005 (E_RNA) where: Base-Base interactions energy: -475.599 where: short stacking energy: -265.634 Base-Backbone interact. energy: 2.391 local terms energy: -432.427235 where: bonds (distance) C4'-P energy: -131.556 bonds (distance) P-C4' energy: -137.080 flat angles C4'-P-C4' energy: -96.567 flat angles P-C4'-P energy: -73.914 tors. eta vs tors. theta energy: 6.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -664.082779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.082779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.082779 (E_RNA) where: Base-Base interactions energy: -279.017 where: short stacking energy: -188.069 Base-Backbone interact. energy: 1.464 local terms energy: -386.530082 where: bonds (distance) C4'-P energy: -123.121 bonds (distance) P-C4' energy: -119.116 flat angles C4'-P-C4' energy: -97.603 flat angles P-C4'-P energy: -75.858 tors. eta vs tors. theta energy: 29.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2712.296489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.296489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.296489 (E_RNA) where: Base-Base interactions energy: -1861.963 where: short stacking energy: -763.952 Base-Backbone interact. energy: 0.129 local terms energy: -850.462457 where: bonds (distance) C4'-P energy: -173.136 bonds (distance) P-C4' energy: -168.599 flat angles C4'-P-C4' energy: -186.611 flat angles P-C4'-P energy: -128.174 tors. eta vs tors. theta energy: -193.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2597.433106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.433106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.433106 (E_RNA) where: Base-Base interactions energy: -1776.630 where: short stacking energy: -800.461 Base-Backbone interact. energy: -3.905 local terms energy: -816.897650 where: bonds (distance) C4'-P energy: -155.437 bonds (distance) P-C4' energy: -147.903 flat angles C4'-P-C4' energy: -175.111 flat angles P-C4'-P energy: -106.109 tors. eta vs tors. theta energy: -232.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2519.643236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.643236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.643236 (E_RNA) where: Base-Base interactions energy: -1715.142 where: short stacking energy: -747.598 Base-Backbone interact. energy: -4.325 local terms energy: -800.176564 where: bonds (distance) C4'-P energy: -156.535 bonds (distance) P-C4' energy: -156.329 flat angles C4'-P-C4' energy: -175.748 flat angles P-C4'-P energy: -108.584 tors. eta vs tors. theta energy: -202.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2308.923695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.923695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.923695 (E_RNA) where: Base-Base interactions energy: -1532.754 where: short stacking energy: -650.067 Base-Backbone interact. energy: -0.031 local terms energy: -776.138646 where: bonds (distance) C4'-P energy: -160.323 bonds (distance) P-C4' energy: -153.091 flat angles C4'-P-C4' energy: -169.074 flat angles P-C4'-P energy: -125.048 tors. eta vs tors. theta energy: -168.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2192.816628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.816628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.816628 (E_RNA) where: Base-Base interactions energy: -1463.670 where: short stacking energy: -636.671 Base-Backbone interact. energy: -0.110 local terms energy: -729.036883 where: bonds (distance) C4'-P energy: -157.128 bonds (distance) P-C4' energy: -143.888 flat angles C4'-P-C4' energy: -156.884 flat angles P-C4'-P energy: -96.239 tors. eta vs tors. theta energy: -174.897 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: 6, replica: 5 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -2008.721592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.721592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.721592 (E_RNA) where: Base-Base interactions energy: -1316.087 where: short stacking energy: -588.675 Base-Backbone interact. energy: -0.661 local terms energy: -691.973418 where: bonds (distance) C4'-P energy: -141.560 bonds (distance) P-C4' energy: -145.519 flat angles C4'-P-C4' energy: -166.915 flat angles P-C4'-P energy: -101.352 tors. eta vs tors. theta energy: -136.627 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: 8 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1465.619414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.619414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.619414 (E_RNA) where: Base-Base interactions energy: -891.294 where: short stacking energy: -411.283 Base-Backbone interact. energy: -2.384 local terms energy: -571.941068 where: bonds (distance) C4'-P energy: -129.196 bonds (distance) P-C4' energy: -134.359 flat angles C4'-P-C4' energy: -144.980 flat angles P-C4'-P energy: -93.057 tors. eta vs tors. theta energy: -70.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1106.622946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.622946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.622946 (E_RNA) where: Base-Base interactions energy: -603.122 where: short stacking energy: -298.233 Base-Backbone interact. energy: 2.988 local terms energy: -506.488870 where: bonds (distance) C4'-P energy: -143.228 bonds (distance) P-C4' energy: -144.524 flat angles C4'-P-C4' energy: -117.586 flat angles P-C4'-P energy: -77.565 tors. eta vs tors. theta energy: -23.586 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: 9, replica: 7 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -932.856706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.856706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.856706 (E_RNA) where: Base-Base interactions energy: -451.587 where: short stacking energy: -295.689 Base-Backbone interact. energy: 5.213 local terms energy: -486.482689 where: bonds (distance) C4'-P energy: -128.570 bonds (distance) P-C4' energy: -148.628 flat angles C4'-P-C4' energy: -127.070 flat angles P-C4'-P energy: -49.694 tors. eta vs tors. theta energy: -32.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -685.760491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.760491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.760491 (E_RNA) where: Base-Base interactions energy: -304.770 where: short stacking energy: -181.363 Base-Backbone interact. energy: -0.937 local terms energy: -380.053775 where: bonds (distance) C4'-P energy: -124.318 bonds (distance) P-C4' energy: -143.694 flat angles C4'-P-C4' energy: -87.765 flat angles P-C4'-P energy: -67.519 tors. eta vs tors. theta energy: 43.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2721.214495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.214495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.214495 (E_RNA) where: Base-Base interactions energy: -1870.349 where: short stacking energy: -784.113 Base-Backbone interact. energy: -5.311 local terms energy: -845.554755 where: bonds (distance) C4'-P energy: -146.808 bonds (distance) P-C4' energy: -179.034 flat angles C4'-P-C4' energy: -183.552 flat angles P-C4'-P energy: -136.284 tors. eta vs tors. theta energy: -199.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2624.682117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.682117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.682117 (E_RNA) where: Base-Base interactions energy: -1752.442 where: short stacking energy: -777.512 Base-Backbone interact. energy: -0.111 local terms energy: -872.129072 where: bonds (distance) C4'-P energy: -149.925 bonds (distance) P-C4' energy: -164.403 flat angles C4'-P-C4' energy: -192.570 flat angles P-C4'-P energy: -125.094 tors. eta vs tors. theta energy: -240.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2498.875727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.875727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.875727 (E_RNA) where: Base-Base interactions energy: -1678.969 where: short stacking energy: -731.109 Base-Backbone interact. energy: 0.558 local terms energy: -820.464218 where: bonds (distance) C4'-P energy: -164.455 bonds (distance) P-C4' energy: -149.016 flat angles C4'-P-C4' energy: -186.257 flat angles P-C4'-P energy: -120.489 tors. eta vs tors. theta energy: -200.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2292.851643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.851643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.851643 (E_RNA) where: Base-Base interactions energy: -1534.464 where: short stacking energy: -673.294 Base-Backbone interact. energy: 7.330 local terms energy: -765.718311 where: bonds (distance) C4'-P energy: -150.800 bonds (distance) P-C4' energy: -149.878 flat angles C4'-P-C4' energy: -181.782 flat angles P-C4'-P energy: -97.543 tors. eta vs tors. theta energy: -185.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2230.404716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.404716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.404716 (E_RNA) where: Base-Base interactions energy: -1491.975 where: short stacking energy: -656.330 Base-Backbone interact. energy: -0.316 local terms energy: -738.114138 where: bonds (distance) C4'-P energy: -139.763 bonds (distance) P-C4' energy: -148.316 flat angles C4'-P-C4' energy: -165.688 flat angles P-C4'-P energy: -104.803 tors. eta vs tors. theta energy: -179.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1963.615512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.615512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.615512 (E_RNA) where: Base-Base interactions energy: -1313.475 where: short stacking energy: -577.122 Base-Backbone interact. energy: -3.562 local terms energy: -646.578329 where: bonds (distance) C4'-P energy: -143.700 bonds (distance) P-C4' energy: -132.491 flat angles C4'-P-C4' energy: -158.282 flat angles P-C4'-P energy: -85.789 tors. eta vs tors. theta energy: -126.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1549.621224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.621224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.621224 (E_RNA) where: Base-Base interactions energy: -969.573 where: short stacking energy: -442.462 Base-Backbone interact. energy: 0.603 local terms energy: -580.651539 where: bonds (distance) C4'-P energy: -119.461 bonds (distance) P-C4' energy: -144.002 flat angles C4'-P-C4' energy: -141.926 flat angles P-C4'-P energy: -102.062 tors. eta vs tors. theta energy: -73.201 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: 6 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1171.076548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.076548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.076548 (E_RNA) where: Base-Base interactions energy: -660.941 where: short stacking energy: -370.540 Base-Backbone interact. energy: 0.012 local terms energy: -510.147494 where: bonds (distance) C4'-P energy: -122.586 bonds (distance) P-C4' energy: -132.043 flat angles C4'-P-C4' energy: -134.182 flat angles P-C4'-P energy: -67.833 tors. eta vs tors. theta energy: -53.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -877.825542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.825542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.825542 (E_RNA) where: Base-Base interactions energy: -443.094 where: short stacking energy: -252.952 Base-Backbone interact. energy: 0.999 local terms energy: -435.729998 where: bonds (distance) C4'-P energy: -128.795 bonds (distance) P-C4' energy: -148.990 flat angles C4'-P-C4' energy: -95.774 flat angles P-C4'-P energy: -80.892 tors. eta vs tors. theta energy: 18.721 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: 10, replica: 10 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -687.163922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.163922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.163922 (E_RNA) where: Base-Base interactions energy: -260.810 where: short stacking energy: -169.675 Base-Backbone interact. energy: -3.433 local terms energy: -422.921081 where: bonds (distance) C4'-P energy: -117.956 bonds (distance) P-C4' energy: -133.289 flat angles C4'-P-C4' energy: -136.519 flat angles P-C4'-P energy: -70.837 tors. eta vs tors. theta energy: 35.680 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: 2 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2753.973193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.973193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.973193 (E_RNA) where: Base-Base interactions energy: -1887.250 where: short stacking energy: -784.911 Base-Backbone interact. energy: -5.249 local terms energy: -861.473453 where: bonds (distance) C4'-P energy: -172.567 bonds (distance) P-C4' energy: -157.082 flat angles C4'-P-C4' energy: -186.745 flat angles P-C4'-P energy: -130.466 tors. eta vs tors. theta energy: -214.614 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: 1 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2718.546004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.546004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.546004 (E_RNA) where: Base-Base interactions energy: -1834.952 where: short stacking energy: -835.764 Base-Backbone interact. energy: -2.835 local terms energy: -880.758663 where: bonds (distance) C4'-P energy: -166.828 bonds (distance) P-C4' energy: -158.258 flat angles C4'-P-C4' energy: -182.247 flat angles P-C4'-P energy: -126.561 tors. eta vs tors. theta energy: -246.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2459.733779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.733779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.733779 (E_RNA) where: Base-Base interactions energy: -1646.106 where: short stacking energy: -684.773 Base-Backbone interact. energy: 1.764 local terms energy: -815.391883 where: bonds (distance) C4'-P energy: -153.466 bonds (distance) P-C4' energy: -175.495 flat angles C4'-P-C4' energy: -170.359 flat angles P-C4'-P energy: -114.742 tors. eta vs tors. theta energy: -201.329 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: 9 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2262.768593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.768593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.768593 (E_RNA) where: Base-Base interactions energy: -1515.596 where: short stacking energy: -671.263 Base-Backbone interact. energy: -3.323 local terms energy: -743.849407 where: bonds (distance) C4'-P energy: -146.325 bonds (distance) P-C4' energy: -131.281 flat angles C4'-P-C4' energy: -175.511 flat angles P-C4'-P energy: -97.976 tors. eta vs tors. theta energy: -192.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2195.329881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.329881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.329881 (E_RNA) where: Base-Base interactions energy: -1464.422 where: short stacking energy: -643.603 Base-Backbone interact. energy: 1.106 local terms energy: -732.014385 where: bonds (distance) C4'-P energy: -141.244 bonds (distance) P-C4' energy: -159.874 flat angles C4'-P-C4' energy: -164.682 flat angles P-C4'-P energy: -98.926 tors. eta vs tors. theta energy: -167.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1967.046194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.046194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.046194 (E_RNA) where: Base-Base interactions energy: -1293.924 where: short stacking energy: -605.977 Base-Backbone interact. energy: 0.946 local terms energy: -674.067742 where: bonds (distance) C4'-P energy: -138.066 bonds (distance) P-C4' energy: -130.736 flat angles C4'-P-C4' energy: -149.093 flat angles P-C4'-P energy: -106.846 tors. eta vs tors. theta energy: -149.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1557.309495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.309495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.309495 (E_RNA) where: Base-Base interactions energy: -964.300 where: short stacking energy: -451.278 Base-Backbone interact. energy: -2.221 local terms energy: -590.788065 where: bonds (distance) C4'-P energy: -130.347 bonds (distance) P-C4' energy: -130.502 flat angles C4'-P-C4' energy: -139.042 flat angles P-C4'-P energy: -88.156 tors. eta vs tors. theta energy: -102.741 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: 6 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1197.021575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.021575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.021575 (E_RNA) where: Base-Base interactions energy: -651.306 where: short stacking energy: -323.597 Base-Backbone interact. energy: -0.406 local terms energy: -545.309798 where: bonds (distance) C4'-P energy: -142.336 bonds (distance) P-C4' energy: -141.030 flat angles C4'-P-C4' energy: -146.441 flat angles P-C4'-P energy: -87.101 tors. eta vs tors. theta energy: -28.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -771.306568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.306568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.306568 (E_RNA) where: Base-Base interactions energy: -324.455 where: short stacking energy: -211.984 Base-Backbone interact. energy: 3.976 local terms energy: -450.828275 where: bonds (distance) C4'-P energy: -129.893 bonds (distance) P-C4' energy: -154.021 flat angles C4'-P-C4' energy: -117.573 flat angles P-C4'-P energy: -72.014 tors. eta vs tors. theta energy: 22.673 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: 309 Temperature: 1.350000 Total energy: -682.930161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.930161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.930161 (E_RNA) where: Base-Base interactions energy: -293.205 where: short stacking energy: -192.604 Base-Backbone interact. energy: 6.016 local terms energy: -395.741138 where: bonds (distance) C4'-P energy: -144.853 bonds (distance) P-C4' energy: -123.667 flat angles C4'-P-C4' energy: -87.517 flat angles P-C4'-P energy: -67.945 tors. eta vs tors. theta energy: 28.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2716.195770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.195770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.195770 (E_RNA) where: Base-Base interactions energy: -1863.245 where: short stacking energy: -849.774 Base-Backbone interact. energy: -5.362 local terms energy: -847.588980 where: bonds (distance) C4'-P energy: -155.114 bonds (distance) P-C4' energy: -152.740 flat angles C4'-P-C4' energy: -173.135 flat angles P-C4'-P energy: -119.683 tors. eta vs tors. theta energy: -246.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2694.760695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.760695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.760695 (E_RNA) where: Base-Base interactions energy: -1850.567 where: short stacking energy: -774.726 Base-Backbone interact. energy: -6.091 local terms energy: -838.102694 where: bonds (distance) C4'-P energy: -145.040 bonds (distance) P-C4' energy: -181.909 flat angles C4'-P-C4' energy: -178.564 flat angles P-C4'-P energy: -130.781 tors. eta vs tors. theta energy: -201.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2410.733165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.733165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.733165 (E_RNA) where: Base-Base interactions energy: -1622.896 where: short stacking energy: -686.912 Base-Backbone interact. energy: -2.242 local terms energy: -785.595505 where: bonds (distance) C4'-P energy: -147.836 bonds (distance) P-C4' energy: -158.910 flat angles C4'-P-C4' energy: -167.720 flat angles P-C4'-P energy: -123.147 tors. eta vs tors. theta energy: -187.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2276.449263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.449263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.449263 (E_RNA) where: Base-Base interactions energy: -1520.344 where: short stacking energy: -675.727 Base-Backbone interact. energy: 2.580 local terms energy: -758.684904 where: bonds (distance) C4'-P energy: -158.490 bonds (distance) P-C4' energy: -162.017 flat angles C4'-P-C4' energy: -164.143 flat angles P-C4'-P energy: -94.575 tors. eta vs tors. theta energy: -179.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2194.674456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.674456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.674456 (E_RNA) where: Base-Base interactions energy: -1446.393 where: short stacking energy: -634.763 Base-Backbone interact. energy: -4.404 local terms energy: -743.877383 where: bonds (distance) C4'-P energy: -142.272 bonds (distance) P-C4' energy: -156.954 flat angles C4'-P-C4' energy: -171.764 flat angles P-C4'-P energy: -102.220 tors. eta vs tors. theta energy: -170.668 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: 5 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1991.347889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.347889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.347889 (E_RNA) where: Base-Base interactions energy: -1331.110 where: short stacking energy: -580.093 Base-Backbone interact. energy: -0.720 local terms energy: -659.517860 where: bonds (distance) C4'-P energy: -139.223 bonds (distance) P-C4' energy: -145.484 flat angles C4'-P-C4' energy: -157.467 flat angles P-C4'-P energy: -69.463 tors. eta vs tors. theta energy: -147.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1576.535989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.535989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.535989 (E_RNA) where: Base-Base interactions energy: -998.096 where: short stacking energy: -450.102 Base-Backbone interact. energy: 5.160 local terms energy: -583.599825 where: bonds (distance) C4'-P energy: -132.767 bonds (distance) P-C4' energy: -120.342 flat angles C4'-P-C4' energy: -140.306 flat angles P-C4'-P energy: -115.171 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: 6 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1171.454382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.454382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.454382 (E_RNA) where: Base-Base interactions energy: -690.382 where: short stacking energy: -353.329 Base-Backbone interact. energy: 6.684 local terms energy: -487.757154 where: bonds (distance) C4'-P energy: -101.031 bonds (distance) P-C4' energy: -131.519 flat angles C4'-P-C4' energy: -137.573 flat angles P-C4'-P energy: -82.090 tors. eta vs tors. theta energy: -35.545 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: 7 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -853.442573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.442573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.442573 (E_RNA) where: Base-Base interactions energy: -412.229 where: short stacking energy: -253.305 Base-Backbone interact. energy: 5.600 local terms energy: -446.813761 where: bonds (distance) C4'-P energy: -129.695 bonds (distance) P-C4' energy: -145.092 flat angles C4'-P-C4' energy: -123.999 flat angles P-C4'-P energy: -58.000 tors. eta vs tors. theta energy: 9.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -662.773640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.773640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.773640 (E_RNA) where: Base-Base interactions energy: -265.506 where: short stacking energy: -184.692 Base-Backbone interact. energy: 2.440 local terms energy: -399.708432 where: bonds (distance) C4'-P energy: -114.588 bonds (distance) P-C4' energy: -126.521 flat angles C4'-P-C4' energy: -111.440 flat angles P-C4'-P energy: -64.893 tors. eta vs tors. theta energy: 17.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2699.735571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.735571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.735571 (E_RNA) where: Base-Base interactions energy: -1814.828 where: short stacking energy: -828.786 Base-Backbone interact. energy: -5.716 local terms energy: -879.191606 where: bonds (distance) C4'-P energy: -154.556 bonds (distance) P-C4' energy: -165.958 flat angles C4'-P-C4' energy: -194.815 flat angles P-C4'-P energy: -119.555 tors. eta vs tors. theta energy: -244.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2645.528827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.528827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.528827 (E_RNA) where: Base-Base interactions energy: -1842.720 where: short stacking energy: -769.359 Base-Backbone interact. energy: -3.211 local terms energy: -799.598070 where: bonds (distance) C4'-P energy: -148.659 bonds (distance) P-C4' energy: -167.315 flat angles C4'-P-C4' energy: -174.942 flat angles P-C4'-P energy: -107.021 tors. eta vs tors. theta energy: -201.661 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: 3, replica: 3 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2390.898864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.898864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.898864 (E_RNA) where: Base-Base interactions energy: -1623.186 where: short stacking energy: -680.200 Base-Backbone interact. energy: 0.268 local terms energy: -767.980246 where: bonds (distance) C4'-P energy: -152.565 bonds (distance) P-C4' energy: -142.035 flat angles C4'-P-C4' energy: -175.312 flat angles P-C4'-P energy: -114.456 tors. eta vs tors. theta energy: -183.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2270.057089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.057089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.057089 (E_RNA) where: Base-Base interactions energy: -1530.932 where: short stacking energy: -658.149 Base-Backbone interact. energy: -3.252 local terms energy: -735.873281 where: bonds (distance) C4'-P energy: -156.422 bonds (distance) P-C4' energy: -160.974 flat angles C4'-P-C4' energy: -153.418 flat angles P-C4'-P energy: -103.210 tors. eta vs tors. theta energy: -161.850 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: 311 Temperature: 1.100000 Total energy: -2236.857340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.857340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.857340 (E_RNA) where: Base-Base interactions energy: -1496.653 where: short stacking energy: -632.692 Base-Backbone interact. energy: -2.599 local terms energy: -737.605312 where: bonds (distance) C4'-P energy: -142.329 bonds (distance) P-C4' energy: -144.916 flat angles C4'-P-C4' energy: -165.864 flat angles P-C4'-P energy: -105.959 tors. eta vs tors. theta energy: -178.537 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: 5 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1946.033631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.033631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.033631 (E_RNA) where: Base-Base interactions energy: -1282.369 where: short stacking energy: -571.881 Base-Backbone interact. energy: -3.059 local terms energy: -660.605333 where: bonds (distance) C4'-P energy: -140.297 bonds (distance) P-C4' energy: -140.897 flat angles C4'-P-C4' energy: -147.424 flat angles P-C4'-P energy: -99.867 tors. eta vs tors. theta energy: -132.120 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: 8 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1516.266706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.266706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.266706 (E_RNA) where: Base-Base interactions energy: -934.421 where: short stacking energy: -456.989 Base-Backbone interact. energy: -1.375 local terms energy: -580.470465 where: bonds (distance) C4'-P energy: -127.580 bonds (distance) P-C4' energy: -141.317 flat angles C4'-P-C4' energy: -146.425 flat angles P-C4'-P energy: -93.304 tors. eta vs tors. theta energy: -71.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1145.914841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.914841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.914841 (E_RNA) where: Base-Base interactions energy: -645.113 where: short stacking energy: -338.891 Base-Backbone interact. energy: 1.208 local terms energy: -502.010002 where: bonds (distance) C4'-P energy: -120.829 bonds (distance) P-C4' energy: -139.712 flat angles C4'-P-C4' energy: -130.986 flat angles P-C4'-P energy: -74.333 tors. eta vs tors. theta energy: -36.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -885.420977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.420977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.420977 (E_RNA) where: Base-Base interactions energy: -431.825 where: short stacking energy: -264.582 Base-Backbone interact. energy: 2.282 local terms energy: -455.878430 where: bonds (distance) C4'-P energy: -113.501 bonds (distance) P-C4' energy: -143.272 flat angles C4'-P-C4' energy: -134.839 flat angles P-C4'-P energy: -54.522 tors. eta vs tors. theta energy: -9.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -760.718799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.718799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.718799 (E_RNA) where: Base-Base interactions energy: -334.015 where: short stacking energy: -234.901 Base-Backbone interact. energy: 0.727 local terms energy: -427.430471 where: bonds (distance) C4'-P energy: -130.435 bonds (distance) P-C4' energy: -140.820 flat angles C4'-P-C4' energy: -98.218 flat angles P-C4'-P energy: -64.510 tors. eta vs tors. theta energy: 6.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2696.557914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.557914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.557914 (E_RNA) where: Base-Base interactions energy: -1821.203 where: short stacking energy: -832.473 Base-Backbone interact. energy: -2.130 local terms energy: -873.224341 where: bonds (distance) C4'-P energy: -167.341 bonds (distance) P-C4' energy: -164.669 flat angles C4'-P-C4' energy: -173.367 flat angles P-C4'-P energy: -122.555 tors. eta vs tors. theta energy: -245.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2612.679087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.679087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.679087 (E_RNA) where: Base-Base interactions energy: -1793.306 where: short stacking energy: -737.129 Base-Backbone interact. energy: -6.415 local terms energy: -812.958001 where: bonds (distance) C4'-P energy: -150.851 bonds (distance) P-C4' energy: -164.398 flat angles C4'-P-C4' energy: -181.544 flat angles P-C4'-P energy: -122.025 tors. eta vs tors. theta energy: -194.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2429.069581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.069581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.069581 (E_RNA) where: Base-Base interactions energy: -1645.044 where: short stacking energy: -722.654 Base-Backbone interact. energy: 3.491 local terms energy: -787.515818 where: bonds (distance) C4'-P energy: -146.584 bonds (distance) P-C4' energy: -155.019 flat angles C4'-P-C4' energy: -176.263 flat angles P-C4'-P energy: -118.670 tors. eta vs tors. theta energy: -190.979 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: 9 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2226.445161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.445161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.445161 (E_RNA) where: Base-Base interactions energy: -1491.969 where: short stacking energy: -637.959 Base-Backbone interact. energy: -0.900 local terms energy: -733.576031 where: bonds (distance) C4'-P energy: -142.958 bonds (distance) P-C4' energy: -170.971 flat angles C4'-P-C4' energy: -152.975 flat angles P-C4'-P energy: -98.924 tors. eta vs tors. theta energy: -167.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2177.586722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.586722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.586722 (E_RNA) where: Base-Base interactions energy: -1458.195 where: short stacking energy: -637.545 Base-Backbone interact. energy: -4.750 local terms energy: -714.642148 where: bonds (distance) C4'-P energy: -140.861 bonds (distance) P-C4' energy: -138.707 flat angles C4'-P-C4' energy: -170.868 flat angles P-C4'-P energy: -100.357 tors. eta vs tors. theta energy: -163.850 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: 6, replica: 5 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1963.718068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.718068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.718068 (E_RNA) where: Base-Base interactions energy: -1304.792 where: short stacking energy: -575.439 Base-Backbone interact. energy: -0.959 local terms energy: -657.967156 where: bonds (distance) C4'-P energy: -118.313 bonds (distance) P-C4' energy: -149.700 flat angles C4'-P-C4' energy: -167.755 flat angles P-C4'-P energy: -95.855 tors. eta vs tors. theta energy: -126.345 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: 7, replica: 8 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1617.217059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.217059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.217059 (E_RNA) where: Base-Base interactions energy: -1035.482 where: short stacking energy: -478.800 Base-Backbone interact. energy: 1.331 local terms energy: -583.066098 where: bonds (distance) C4'-P energy: -139.652 bonds (distance) P-C4' energy: -129.609 flat angles C4'-P-C4' energy: -126.545 flat angles P-C4'-P energy: -86.188 tors. eta vs tors. theta energy: -101.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1100.327260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.327260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.327260 (E_RNA) where: Base-Base interactions energy: -617.812 where: short stacking energy: -331.891 Base-Backbone interact. energy: 1.083 local terms energy: -483.598148 where: bonds (distance) C4'-P energy: -129.748 bonds (distance) P-C4' energy: -127.680 flat angles C4'-P-C4' energy: -107.840 flat angles P-C4'-P energy: -79.450 tors. eta vs tors. theta energy: -38.879 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: 7 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -870.619605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.619605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.619605 (E_RNA) where: Base-Base interactions energy: -429.542 where: short stacking energy: -270.114 Base-Backbone interact. energy: -0.255 local terms energy: -440.822287 where: bonds (distance) C4'-P energy: -128.566 bonds (distance) P-C4' energy: -142.151 flat angles C4'-P-C4' energy: -119.409 flat angles P-C4'-P energy: -59.517 tors. eta vs tors. theta energy: 8.821 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: 10 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -697.904979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.904979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.904979 (E_RNA) where: Base-Base interactions energy: -279.711 where: short stacking energy: -182.703 Base-Backbone interact. energy: -2.594 local terms energy: -415.600118 where: bonds (distance) C4'-P energy: -118.080 bonds (distance) P-C4' energy: -142.926 flat angles C4'-P-C4' energy: -128.636 flat angles P-C4'-P energy: -59.301 tors. eta vs tors. theta energy: 33.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2700.981323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.981323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.981323 (E_RNA) where: Base-Base interactions energy: -1853.088 where: short stacking energy: -827.679 Base-Backbone interact. energy: -2.363 local terms energy: -845.530649 where: bonds (distance) C4'-P energy: -160.236 bonds (distance) P-C4' energy: -155.964 flat angles C4'-P-C4' energy: -162.362 flat angles P-C4'-P energy: -111.581 tors. eta vs tors. theta energy: -255.388 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: 2 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2622.710449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.710449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.710449 (E_RNA) where: Base-Base interactions energy: -1823.055 where: short stacking energy: -766.455 Base-Backbone interact. energy: -2.972 local terms energy: -796.683364 where: bonds (distance) C4'-P energy: -150.463 bonds (distance) P-C4' energy: -155.577 flat angles C4'-P-C4' energy: -170.850 flat angles P-C4'-P energy: -115.520 tors. eta vs tors. theta energy: -204.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2425.156849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.156849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.156849 (E_RNA) where: Base-Base interactions energy: -1638.542 where: short stacking energy: -712.514 Base-Backbone interact. energy: -2.191 local terms energy: -784.423271 where: bonds (distance) C4'-P energy: -159.352 bonds (distance) P-C4' energy: -138.890 flat angles C4'-P-C4' energy: -166.561 flat angles P-C4'-P energy: -122.504 tors. eta vs tors. theta energy: -197.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2260.019332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.019332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.019332 (E_RNA) where: Base-Base interactions energy: -1529.174 where: short stacking energy: -632.730 Base-Backbone interact. energy: -0.137 local terms energy: -730.708348 where: bonds (distance) C4'-P energy: -147.505 bonds (distance) P-C4' energy: -144.794 flat angles C4'-P-C4' energy: -164.909 flat angles P-C4'-P energy: -126.611 tors. eta vs tors. theta energy: -146.890 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: 4 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2173.104787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.104787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.104787 (E_RNA) where: Base-Base interactions energy: -1471.470 where: short stacking energy: -623.772 Base-Backbone interact. energy: -4.302 local terms energy: -697.333629 where: bonds (distance) C4'-P energy: -133.707 bonds (distance) P-C4' energy: -148.322 flat angles C4'-P-C4' energy: -148.719 flat angles P-C4'-P energy: -101.768 tors. eta vs tors. theta energy: -164.818 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: 313 Temperature: 1.150000 Total energy: -1893.279418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.279418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.279418 (E_RNA) where: Base-Base interactions energy: -1212.527 where: short stacking energy: -566.432 Base-Backbone interact. energy: 2.254 local terms energy: -683.005727 where: bonds (distance) C4'-P energy: -115.320 bonds (distance) P-C4' energy: -157.130 flat angles C4'-P-C4' energy: -161.451 flat angles P-C4'-P energy: -115.543 tors. eta vs tors. theta energy: -133.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1651.083418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.083418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.083418 (E_RNA) where: Base-Base interactions energy: -1030.120 where: short stacking energy: -488.442 Base-Backbone interact. energy: -0.706 local terms energy: -620.258173 where: bonds (distance) C4'-P energy: -130.480 bonds (distance) P-C4' energy: -136.356 flat angles C4'-P-C4' energy: -147.619 flat angles P-C4'-P energy: -109.545 tors. eta vs tors. theta energy: -96.258 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: 6 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1090.698088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.698088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.698088 (E_RNA) where: Base-Base interactions energy: -598.081 where: short stacking energy: -317.953 Base-Backbone interact. energy: -0.240 local terms energy: -492.377131 where: bonds (distance) C4'-P energy: -141.432 bonds (distance) P-C4' energy: -131.179 flat angles C4'-P-C4' energy: -108.901 flat angles P-C4'-P energy: -84.342 tors. eta vs tors. theta energy: -26.523 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: 7 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -945.795628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.795628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.795628 (E_RNA) where: Base-Base interactions energy: -482.999 where: short stacking energy: -276.690 Base-Backbone interact. energy: 7.033 local terms energy: -469.829424 where: bonds (distance) C4'-P energy: -133.775 bonds (distance) P-C4' energy: -153.435 flat angles C4'-P-C4' energy: -104.109 flat angles P-C4'-P energy: -72.335 tors. eta vs tors. theta energy: -6.175 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: 10 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -686.043561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.043561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.043561 (E_RNA) where: Base-Base interactions energy: -288.885 where: short stacking energy: -200.403 Base-Backbone interact. energy: 2.678 local terms energy: -399.836647 where: bonds (distance) C4'-P energy: -133.231 bonds (distance) P-C4' energy: -139.723 flat angles C4'-P-C4' energy: -94.067 flat angles P-C4'-P energy: -52.508 tors. eta vs tors. theta energy: 19.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2720.045434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.045434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.045434 (E_RNA) where: Base-Base interactions energy: -1822.037 where: short stacking energy: -820.930 Base-Backbone interact. energy: -2.727 local terms energy: -895.281059 where: bonds (distance) C4'-P energy: -158.311 bonds (distance) P-C4' energy: -167.229 flat angles C4'-P-C4' energy: -190.688 flat angles P-C4'-P energy: -126.146 tors. eta vs tors. theta energy: -252.906 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: 2 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2684.130053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.130053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.130053 (E_RNA) where: Base-Base interactions energy: -1859.971 where: short stacking energy: -768.947 Base-Backbone interact. energy: -4.368 local terms energy: -819.791170 where: bonds (distance) C4'-P energy: -150.145 bonds (distance) P-C4' energy: -165.120 flat angles C4'-P-C4' energy: -174.080 flat angles P-C4'-P energy: -128.463 tors. eta vs tors. theta energy: -201.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2446.783561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.783561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.783561 (E_RNA) where: Base-Base interactions energy: -1625.839 where: short stacking energy: -716.694 Base-Backbone interact. energy: -4.685 local terms energy: -816.259330 where: bonds (distance) C4'-P energy: -158.137 bonds (distance) P-C4' energy: -148.561 flat angles C4'-P-C4' energy: -174.126 flat angles P-C4'-P energy: -120.256 tors. eta vs tors. theta energy: -215.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2277.771181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.771181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.771181 (E_RNA) where: Base-Base interactions energy: -1519.658 where: short stacking energy: -644.277 Base-Backbone interact. energy: -2.766 local terms energy: -755.347088 where: bonds (distance) C4'-P energy: -149.753 bonds (distance) P-C4' energy: -146.876 flat angles C4'-P-C4' energy: -166.996 flat angles P-C4'-P energy: -129.169 tors. eta vs tors. theta energy: -162.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2150.899514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.899514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.899514 (E_RNA) where: Base-Base interactions energy: -1478.053 where: short stacking energy: -612.169 Base-Backbone interact. energy: 0.394 local terms energy: -673.240408 where: bonds (distance) C4'-P energy: -122.614 bonds (distance) P-C4' energy: -143.578 flat angles C4'-P-C4' energy: -148.467 flat angles P-C4'-P energy: -101.480 tors. eta vs tors. theta energy: -157.102 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: 5 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1871.123221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.123221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.123221 (E_RNA) where: Base-Base interactions energy: -1249.812 where: short stacking energy: -577.008 Base-Backbone interact. energy: 0.315 local terms energy: -621.625800 where: bonds (distance) C4'-P energy: -136.949 bonds (distance) P-C4' energy: -119.224 flat angles C4'-P-C4' energy: -147.570 flat angles P-C4'-P energy: -86.266 tors. eta vs tors. theta energy: -131.617 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: 8 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1623.167501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.167501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.167501 (E_RNA) where: Base-Base interactions energy: -1027.216 where: short stacking energy: -450.134 Base-Backbone interact. energy: 2.973 local terms energy: -598.924247 where: bonds (distance) C4'-P energy: -141.187 bonds (distance) P-C4' energy: -144.088 flat angles C4'-P-C4' energy: -143.040 flat angles P-C4'-P energy: -88.751 tors. eta vs tors. theta energy: -81.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1143.346825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.346825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.346825 (E_RNA) where: Base-Base interactions energy: -643.674 where: short stacking energy: -313.328 Base-Backbone interact. energy: -0.612 local terms energy: -499.060976 where: bonds (distance) C4'-P energy: -136.169 bonds (distance) P-C4' energy: -131.299 flat angles C4'-P-C4' energy: -140.602 flat angles P-C4'-P energy: -61.311 tors. eta vs tors. theta energy: -29.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -914.712386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.712386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.712386 (E_RNA) where: Base-Base interactions energy: -474.744 where: short stacking energy: -268.104 Base-Backbone interact. energy: -0.201 local terms energy: -439.767384 where: bonds (distance) C4'-P energy: -128.349 bonds (distance) P-C4' energy: -135.567 flat angles C4'-P-C4' energy: -99.410 flat angles P-C4'-P energy: -74.254 tors. eta vs tors. theta energy: -2.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -664.458473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.458473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.458473 (E_RNA) where: Base-Base interactions energy: -278.706 where: short stacking energy: -157.316 Base-Backbone interact. energy: 1.422 local terms energy: -387.174208 where: bonds (distance) C4'-P energy: -147.298 bonds (distance) P-C4' energy: -116.238 flat angles C4'-P-C4' energy: -112.103 flat angles P-C4'-P energy: -56.085 tors. eta vs tors. theta energy: 44.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2706.109698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.109698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.109698 (E_RNA) where: Base-Base interactions energy: -1828.975 where: short stacking energy: -821.172 Base-Backbone interact. energy: -2.669 local terms energy: -874.466413 where: bonds (distance) C4'-P energy: -159.673 bonds (distance) P-C4' energy: -159.272 flat angles C4'-P-C4' energy: -178.545 flat angles P-C4'-P energy: -128.169 tors. eta vs tors. theta energy: -248.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2641.803745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.803745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.803745 (E_RNA) where: Base-Base interactions energy: -1824.989 where: short stacking energy: -771.305 Base-Backbone interact. energy: -5.857 local terms energy: -810.958462 where: bonds (distance) C4'-P energy: -156.604 bonds (distance) P-C4' energy: -171.239 flat angles C4'-P-C4' energy: -170.583 flat angles P-C4'-P energy: -118.358 tors. eta vs tors. theta energy: -194.174 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: 3 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2473.022441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.022441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.022441 (E_RNA) where: Base-Base interactions energy: -1692.811 where: short stacking energy: -753.338 Base-Backbone interact. energy: -0.327 local terms energy: -779.884679 where: bonds (distance) C4'-P energy: -160.917 bonds (distance) P-C4' energy: -132.373 flat angles C4'-P-C4' energy: -155.320 flat angles P-C4'-P energy: -120.380 tors. eta vs tors. theta energy: -210.895 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: 9 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2316.688620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.688620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.688620 (E_RNA) where: Base-Base interactions energy: -1576.122 where: short stacking energy: -648.128 Base-Backbone interact. energy: -3.576 local terms energy: -736.990778 where: bonds (distance) C4'-P energy: -150.345 bonds (distance) P-C4' energy: -131.863 flat angles C4'-P-C4' energy: -166.242 flat angles P-C4'-P energy: -98.614 tors. eta vs tors. theta energy: -189.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2162.838585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.838585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.838585 (E_RNA) where: Base-Base interactions energy: -1480.720 where: short stacking energy: -629.828 Base-Backbone interact. energy: -2.003 local terms energy: -680.116436 where: bonds (distance) C4'-P energy: -138.584 bonds (distance) P-C4' energy: -116.093 flat angles C4'-P-C4' energy: -145.768 flat angles P-C4'-P energy: -107.915 tors. eta vs tors. theta energy: -171.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1846.300720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.300720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.300720 (E_RNA) where: Base-Base interactions energy: -1209.605 where: short stacking energy: -526.190 Base-Backbone interact. energy: -5.057 local terms energy: -631.638723 where: bonds (distance) C4'-P energy: -141.387 bonds (distance) P-C4' energy: -154.263 flat angles C4'-P-C4' energy: -151.888 flat angles P-C4'-P energy: -82.231 tors. eta vs tors. theta energy: -101.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1633.508961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.508961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.508961 (E_RNA) where: Base-Base interactions energy: -1020.738 where: short stacking energy: -438.834 Base-Backbone interact. energy: -4.985 local terms energy: -607.785500 where: bonds (distance) C4'-P energy: -141.676 bonds (distance) P-C4' energy: -140.188 flat angles C4'-P-C4' energy: -140.155 flat angles P-C4'-P energy: -100.949 tors. eta vs tors. theta energy: -84.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1165.275866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.275866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.275866 (E_RNA) where: Base-Base interactions energy: -662.135 where: short stacking energy: -329.775 Base-Backbone interact. energy: 2.738 local terms energy: -505.879052 where: bonds (distance) C4'-P energy: -137.530 bonds (distance) P-C4' energy: -146.698 flat angles C4'-P-C4' energy: -136.240 flat angles P-C4'-P energy: -59.244 tors. eta vs tors. theta energy: -26.166 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: 7 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -920.459736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.459736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.459736 (E_RNA) where: Base-Base interactions energy: -466.563 where: short stacking energy: -292.171 Base-Backbone interact. energy: -2.078 local terms energy: -451.819094 where: bonds (distance) C4'-P energy: -133.375 bonds (distance) P-C4' energy: -132.139 flat angles C4'-P-C4' energy: -95.635 flat angles P-C4'-P energy: -76.981 tors. eta vs tors. theta energy: -13.688 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: 10 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -605.544949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.544949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.544949 (E_RNA) where: Base-Base interactions energy: -227.257 where: short stacking energy: -168.345 Base-Backbone interact. energy: -5.200 local terms energy: -373.087483 where: bonds (distance) C4'-P energy: -128.728 bonds (distance) P-C4' energy: -132.541 flat angles C4'-P-C4' energy: -87.238 flat angles P-C4'-P energy: -57.510 tors. eta vs tors. theta energy: 32.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2716.700087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.700087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.700087 (E_RNA) where: Base-Base interactions energy: -1826.214 where: short stacking energy: -836.832 Base-Backbone interact. energy: 2.431 local terms energy: -892.917874 where: bonds (distance) C4'-P energy: -148.888 bonds (distance) P-C4' energy: -175.928 flat angles C4'-P-C4' energy: -191.022 flat angles P-C4'-P energy: -129.496 tors. eta vs tors. theta energy: -247.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2583.202503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.202503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.202503 (E_RNA) where: Base-Base interactions energy: -1795.846 where: short stacking energy: -713.811 Base-Backbone interact. energy: -3.550 local terms energy: -783.806707 where: bonds (distance) C4'-P energy: -147.601 bonds (distance) P-C4' energy: -161.115 flat angles C4'-P-C4' energy: -180.567 flat angles P-C4'-P energy: -119.057 tors. eta vs tors. theta energy: -175.466 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: 3 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2487.670743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.670743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.670743 (E_RNA) where: Base-Base interactions energy: -1691.048 where: short stacking energy: -738.345 Base-Backbone interact. energy: -2.250 local terms energy: -794.372619 where: bonds (distance) C4'-P energy: -156.056 bonds (distance) P-C4' energy: -160.769 flat angles C4'-P-C4' energy: -164.305 flat angles P-C4'-P energy: -112.422 tors. eta vs tors. theta energy: -200.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2313.434788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.434788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.434788 (E_RNA) where: Base-Base interactions energy: -1580.356 where: short stacking energy: -669.991 Base-Backbone interact. energy: -3.169 local terms energy: -729.909850 where: bonds (distance) C4'-P energy: -119.753 bonds (distance) P-C4' energy: -150.537 flat angles C4'-P-C4' energy: -170.874 flat angles P-C4'-P energy: -110.900 tors. eta vs tors. theta energy: -177.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2202.259954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.259954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.259954 (E_RNA) where: Base-Base interactions energy: -1479.200 where: short stacking energy: -667.458 Base-Backbone interact. energy: -3.111 local terms energy: -719.948884 where: bonds (distance) C4'-P energy: -139.830 bonds (distance) P-C4' energy: -149.146 flat angles C4'-P-C4' energy: -152.594 flat angles P-C4'-P energy: -103.167 tors. eta vs tors. theta energy: -175.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1862.083660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.083660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.083660 (E_RNA) where: Base-Base interactions energy: -1219.644 where: short stacking energy: -552.897 Base-Backbone interact. energy: 0.241 local terms energy: -642.680664 where: bonds (distance) C4'-P energy: -136.020 bonds (distance) P-C4' energy: -154.273 flat angles C4'-P-C4' energy: -153.629 flat angles P-C4'-P energy: -85.536 tors. eta vs tors. theta energy: -113.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1564.079969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.079969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.079969 (E_RNA) where: Base-Base interactions energy: -1015.919 where: short stacking energy: -487.565 Base-Backbone interact. energy: 2.162 local terms energy: -550.323572 where: bonds (distance) C4'-P energy: -128.666 bonds (distance) P-C4' energy: -133.331 flat angles C4'-P-C4' energy: -142.529 flat angles P-C4'-P energy: -59.839 tors. eta vs tors. theta energy: -85.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1201.155192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.155192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.155192 (E_RNA) where: Base-Base interactions energy: -685.816 where: short stacking energy: -359.589 Base-Backbone interact. energy: 2.793 local terms energy: -518.132640 where: bonds (distance) C4'-P energy: -129.732 bonds (distance) P-C4' energy: -144.939 flat angles C4'-P-C4' energy: -122.418 flat angles P-C4'-P energy: -71.976 tors. eta vs tors. theta energy: -49.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -884.054681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.054681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.054681 (E_RNA) where: Base-Base interactions energy: -439.178 where: short stacking energy: -269.625 Base-Backbone interact. energy: -0.815 local terms energy: -444.061192 where: bonds (distance) C4'-P energy: -111.898 bonds (distance) P-C4' energy: -140.022 flat angles C4'-P-C4' energy: -118.426 flat angles P-C4'-P energy: -76.548 tors. eta vs tors. theta energy: 2.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -592.188777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.188777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.188777 (E_RNA) where: Base-Base interactions energy: -223.349 where: short stacking energy: -194.053 Base-Backbone interact. energy: 0.293 local terms energy: -369.132794 where: bonds (distance) C4'-P energy: -118.082 bonds (distance) P-C4' energy: -119.349 flat angles C4'-P-C4' energy: -102.743 flat angles P-C4'-P energy: -59.830 tors. eta vs tors. theta energy: 30.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2732.435457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.435457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.435457 (E_RNA) where: Base-Base interactions energy: -1812.418 where: short stacking energy: -836.976 Base-Backbone interact. energy: -0.762 local terms energy: -919.255276 where: bonds (distance) C4'-P energy: -160.027 bonds (distance) P-C4' energy: -168.749 flat angles C4'-P-C4' energy: -193.750 flat angles P-C4'-P energy: -132.947 tors. eta vs tors. theta energy: -263.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2569.386043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.386043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.386043 (E_RNA) where: Base-Base interactions energy: -1782.634 where: short stacking energy: -730.833 Base-Backbone interact. energy: -6.633 local terms energy: -780.118820 where: bonds (distance) C4'-P energy: -149.911 bonds (distance) P-C4' energy: -148.058 flat angles C4'-P-C4' energy: -168.032 flat angles P-C4'-P energy: -116.968 tors. eta vs tors. theta energy: -197.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2470.364222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.364222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.364222 (E_RNA) where: Base-Base interactions energy: -1681.000 where: short stacking energy: -716.640 Base-Backbone interact. energy: -3.797 local terms energy: -785.567997 where: bonds (distance) C4'-P energy: -156.656 bonds (distance) P-C4' energy: -138.139 flat angles C4'-P-C4' energy: -180.516 flat angles P-C4'-P energy: -108.844 tors. eta vs tors. theta energy: -201.413 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: 9 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2263.743213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.743213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.743213 (E_RNA) where: Base-Base interactions energy: -1541.263 where: short stacking energy: -668.841 Base-Backbone interact. energy: -1.503 local terms energy: -720.977100 where: bonds (distance) C4'-P energy: -136.986 bonds (distance) P-C4' energy: -159.627 flat angles C4'-P-C4' energy: -160.057 flat angles P-C4'-P energy: -108.527 tors. eta vs tors. theta energy: -155.780 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: 5, replica: 4 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2100.480473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.480473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.480473 (E_RNA) where: Base-Base interactions energy: -1408.537 where: short stacking energy: -602.309 Base-Backbone interact. energy: -3.132 local terms energy: -688.811319 where: bonds (distance) C4'-P energy: -143.831 bonds (distance) P-C4' energy: -127.151 flat angles C4'-P-C4' energy: -160.127 flat angles P-C4'-P energy: -99.782 tors. eta vs tors. theta energy: -157.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1834.076201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.076201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.076201 (E_RNA) where: Base-Base interactions energy: -1183.926 where: short stacking energy: -506.375 Base-Backbone interact. energy: -2.231 local terms energy: -647.918674 where: bonds (distance) C4'-P energy: -139.406 bonds (distance) P-C4' energy: -136.540 flat angles C4'-P-C4' energy: -148.575 flat angles P-C4'-P energy: -105.259 tors. eta vs tors. theta energy: -118.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1578.331917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.331917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.331917 (E_RNA) where: Base-Base interactions energy: -965.097 where: short stacking energy: -453.986 Base-Backbone interact. energy: 3.804 local terms energy: -617.039148 where: bonds (distance) C4'-P energy: -136.746 bonds (distance) P-C4' energy: -151.483 flat angles C4'-P-C4' energy: -147.625 flat angles P-C4'-P energy: -97.202 tors. eta vs tors. theta energy: -83.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1133.416267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.416267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.416267 (E_RNA) where: Base-Base interactions energy: -610.112 where: short stacking energy: -343.338 Base-Backbone interact. energy: -1.064 local terms energy: -522.239661 where: bonds (distance) C4'-P energy: -126.420 bonds (distance) P-C4' energy: -158.168 flat angles C4'-P-C4' energy: -108.861 flat angles P-C4'-P energy: -88.515 tors. eta vs tors. theta energy: -40.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -842.913662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.913662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.913662 (E_RNA) where: Base-Base interactions energy: -363.123 where: short stacking energy: -247.033 Base-Backbone interact. energy: -5.160 local terms energy: -474.630344 where: bonds (distance) C4'-P energy: -117.927 bonds (distance) P-C4' energy: -156.724 flat angles C4'-P-C4' energy: -120.305 flat angles P-C4'-P energy: -64.518 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: 10 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -624.928449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.928449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.928449 (E_RNA) where: Base-Base interactions energy: -195.916 where: short stacking energy: -141.274 Base-Backbone interact. energy: -1.199 local terms energy: -427.814179 where: bonds (distance) C4'-P energy: -138.116 bonds (distance) P-C4' energy: -142.640 flat angles C4'-P-C4' energy: -127.954 flat angles P-C4'-P energy: -76.253 tors. eta vs tors. theta energy: 57.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2677.867504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.867504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.867504 (E_RNA) where: Base-Base interactions energy: -1816.903 where: short stacking energy: -837.084 Base-Backbone interact. energy: -5.332 local terms energy: -855.632510 where: bonds (distance) C4'-P energy: -156.488 bonds (distance) P-C4' energy: -159.537 flat angles C4'-P-C4' energy: -175.957 flat angles P-C4'-P energy: -122.003 tors. eta vs tors. theta energy: -241.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2612.695569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.695569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.695569 (E_RNA) where: Base-Base interactions energy: -1793.602 where: short stacking energy: -750.360 Base-Backbone interact. energy: 2.415 local terms energy: -821.508344 where: bonds (distance) C4'-P energy: -165.039 bonds (distance) P-C4' energy: -149.591 flat angles C4'-P-C4' energy: -188.779 flat angles P-C4'-P energy: -120.772 tors. eta vs tors. theta energy: -197.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2462.890492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.890492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.890492 (E_RNA) where: Base-Base interactions energy: -1681.418 where: short stacking energy: -742.367 Base-Backbone interact. energy: 7.072 local terms energy: -788.544806 where: bonds (distance) C4'-P energy: -140.909 bonds (distance) P-C4' energy: -156.573 flat angles C4'-P-C4' energy: -170.525 flat angles P-C4'-P energy: -114.653 tors. eta vs tors. theta energy: -205.885 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: 9 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2256.377657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.377657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.377657 (E_RNA) where: Base-Base interactions energy: -1538.000 where: short stacking energy: -654.034 Base-Backbone interact. energy: -5.108 local terms energy: -713.269266 where: bonds (distance) C4'-P energy: -137.182 bonds (distance) P-C4' energy: -151.232 flat angles C4'-P-C4' energy: -168.019 flat angles P-C4'-P energy: -115.453 tors. eta vs tors. theta energy: -141.383 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: 5, replica: 4 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2077.987417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.987417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.987417 (E_RNA) where: Base-Base interactions energy: -1412.573 where: short stacking energy: -584.857 Base-Backbone interact. energy: -3.091 local terms energy: -662.323595 where: bonds (distance) C4'-P energy: -143.028 bonds (distance) P-C4' energy: -137.359 flat angles C4'-P-C4' energy: -157.471 flat angles P-C4'-P energy: -92.876 tors. eta vs tors. theta energy: -131.589 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: 5 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1874.730029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.730029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.730029 (E_RNA) where: Base-Base interactions energy: -1203.510 where: short stacking energy: -532.510 Base-Backbone interact. energy: -3.909 local terms energy: -667.310501 where: bonds (distance) C4'-P energy: -132.696 bonds (distance) P-C4' energy: -156.967 flat angles C4'-P-C4' energy: -158.816 flat angles P-C4'-P energy: -100.660 tors. eta vs tors. theta energy: -118.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1551.445128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.445128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.445128 (E_RNA) where: Base-Base interactions energy: -963.838 where: short stacking energy: -449.582 Base-Backbone interact. energy: -1.722 local terms energy: -585.884607 where: bonds (distance) C4'-P energy: -128.842 bonds (distance) P-C4' energy: -134.658 flat angles C4'-P-C4' energy: -149.910 flat angles P-C4'-P energy: -85.229 tors. eta vs tors. theta energy: -87.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1127.277118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.277118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.277118 (E_RNA) where: Base-Base interactions energy: -621.222 where: short stacking energy: -317.867 Base-Backbone interact. energy: 1.942 local terms energy: -507.996763 where: bonds (distance) C4'-P energy: -121.728 bonds (distance) P-C4' energy: -149.677 flat angles C4'-P-C4' energy: -134.206 flat angles P-C4'-P energy: -78.864 tors. eta vs tors. theta energy: -23.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -911.949307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.949307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.949307 (E_RNA) where: Base-Base interactions energy: -472.126 where: short stacking energy: -305.328 Base-Backbone interact. energy: 6.080 local terms energy: -445.903672 where: bonds (distance) C4'-P energy: -115.876 bonds (distance) P-C4' energy: -131.187 flat angles C4'-P-C4' energy: -129.606 flat angles P-C4'-P energy: -62.357 tors. eta vs tors. theta energy: -6.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -652.377213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.377213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.377213 (E_RNA) where: Base-Base interactions energy: -238.544 where: short stacking energy: -186.314 Base-Backbone interact. energy: -0.141 local terms energy: -413.692667 where: bonds (distance) C4'-P energy: -122.618 bonds (distance) P-C4' energy: -145.491 flat angles C4'-P-C4' energy: -107.426 flat angles P-C4'-P energy: -48.691 tors. eta vs tors. theta energy: 10.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2719.583966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.583966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.583966 (E_RNA) where: Base-Base interactions energy: -1838.172 where: short stacking energy: -806.349 Base-Backbone interact. energy: -3.748 local terms energy: -877.663783 where: bonds (distance) C4'-P energy: -153.772 bonds (distance) P-C4' energy: -155.420 flat angles C4'-P-C4' energy: -190.605 flat angles P-C4'-P energy: -133.201 tors. eta vs tors. theta energy: -244.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2598.395048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.395048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.395048 (E_RNA) where: Base-Base interactions energy: -1811.170 where: short stacking energy: -780.271 Base-Backbone interact. energy: 1.177 local terms energy: -788.401179 where: bonds (distance) C4'-P energy: -138.445 bonds (distance) P-C4' energy: -144.182 flat angles C4'-P-C4' energy: -183.328 flat angles P-C4'-P energy: -116.977 tors. eta vs tors. theta energy: -205.469 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: 3, replica: 3 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2429.083835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.083835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.083835 (E_RNA) where: Base-Base interactions energy: -1638.611 where: short stacking energy: -728.880 Base-Backbone interact. energy: 0.390 local terms energy: -790.862300 where: bonds (distance) C4'-P energy: -147.955 bonds (distance) P-C4' energy: -152.557 flat angles C4'-P-C4' energy: -177.525 flat angles P-C4'-P energy: -106.154 tors. eta vs tors. theta energy: -206.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2249.057248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.057248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.057248 (E_RNA) where: Base-Base interactions energy: -1525.804 where: short stacking energy: -627.056 Base-Backbone interact. energy: -3.549 local terms energy: -719.704231 where: bonds (distance) C4'-P energy: -140.617 bonds (distance) P-C4' energy: -147.631 flat angles C4'-P-C4' energy: -169.389 flat angles P-C4'-P energy: -108.643 tors. eta vs tors. theta energy: -153.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2130.016484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.016484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.016484 (E_RNA) where: Base-Base interactions energy: -1414.681 where: short stacking energy: -640.519 Base-Backbone interact. energy: -3.553 local terms energy: -711.781872 where: bonds (distance) C4'-P energy: -125.836 bonds (distance) P-C4' energy: -145.684 flat angles C4'-P-C4' energy: -147.753 flat angles P-C4'-P energy: -109.569 tors. eta vs tors. theta energy: -182.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1896.836381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.836381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.836381 (E_RNA) where: Base-Base interactions energy: -1248.199 where: short stacking energy: -551.469 Base-Backbone interact. energy: 0.925 local terms energy: -649.561902 where: bonds (distance) C4'-P energy: -155.675 bonds (distance) P-C4' energy: -124.792 flat angles C4'-P-C4' energy: -144.996 flat angles P-C4'-P energy: -98.633 tors. eta vs tors. theta energy: -125.467 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: 8 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1564.417734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.417734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.417734 (E_RNA) where: Base-Base interactions energy: -980.524 where: short stacking energy: -488.277 Base-Backbone interact. energy: 2.445 local terms energy: -586.339128 where: bonds (distance) C4'-P energy: -147.424 bonds (distance) P-C4' energy: -136.791 flat angles C4'-P-C4' energy: -143.489 flat angles P-C4'-P energy: -69.527 tors. eta vs tors. theta energy: -89.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1111.456677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.456677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.456677 (E_RNA) where: Base-Base interactions energy: -603.845 where: short stacking energy: -321.890 Base-Backbone interact. energy: -2.977 local terms energy: -504.634252 where: bonds (distance) C4'-P energy: -141.180 bonds (distance) P-C4' energy: -140.140 flat angles C4'-P-C4' energy: -131.457 flat angles P-C4'-P energy: -60.513 tors. eta vs tors. theta energy: -31.345 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: 9, replica: 7 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -917.062991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.062991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.062991 (E_RNA) where: Base-Base interactions energy: -466.487 where: short stacking energy: -262.552 Base-Backbone interact. energy: 5.436 local terms energy: -456.011707 where: bonds (distance) C4'-P energy: -118.751 bonds (distance) P-C4' energy: -151.958 flat angles C4'-P-C4' energy: -110.041 flat angles P-C4'-P energy: -73.229 tors. eta vs tors. theta energy: -2.032 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: 10, replica: 10 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -615.436812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.436812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.436812 (E_RNA) where: Base-Base interactions energy: -216.681 where: short stacking energy: -144.278 Base-Backbone interact. energy: -0.598 local terms energy: -398.158069 where: bonds (distance) C4'-P energy: -95.125 bonds (distance) P-C4' energy: -135.872 flat angles C4'-P-C4' energy: -112.916 flat angles P-C4'-P energy: -79.733 tors. eta vs tors. theta energy: 25.487 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: 1 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2712.673203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.673203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.673203 (E_RNA) where: Base-Base interactions energy: -1841.307 where: short stacking energy: -837.182 Base-Backbone interact. energy: -0.168 local terms energy: -871.198342 where: bonds (distance) C4'-P energy: -161.890 bonds (distance) P-C4' energy: -160.142 flat angles C4'-P-C4' energy: -194.401 flat angles P-C4'-P energy: -125.246 tors. eta vs tors. theta energy: -229.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2569.253206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.253206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.253206 (E_RNA) where: Base-Base interactions energy: -1758.918 where: short stacking energy: -742.117 Base-Backbone interact. energy: -4.484 local terms energy: -805.851190 where: bonds (distance) C4'-P energy: -154.128 bonds (distance) P-C4' energy: -153.799 flat angles C4'-P-C4' energy: -185.591 flat angles P-C4'-P energy: -108.629 tors. eta vs tors. theta energy: -203.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2467.665309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.665309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.665309 (E_RNA) where: Base-Base interactions energy: -1680.252 where: short stacking energy: -714.854 Base-Backbone interact. energy: -2.158 local terms energy: -785.255099 where: bonds (distance) C4'-P energy: -141.590 bonds (distance) P-C4' energy: -174.829 flat angles C4'-P-C4' energy: -177.382 flat angles P-C4'-P energy: -97.135 tors. eta vs tors. theta energy: -194.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2319.793546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.793546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.793546 (E_RNA) where: Base-Base interactions energy: -1592.443 where: short stacking energy: -669.471 Base-Backbone interact. energy: -2.165 local terms energy: -725.185537 where: bonds (distance) C4'-P energy: -143.482 bonds (distance) P-C4' energy: -156.162 flat angles C4'-P-C4' energy: -161.842 flat angles P-C4'-P energy: -97.992 tors. eta vs tors. theta energy: -165.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2159.568319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.568319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.568319 (E_RNA) where: Base-Base interactions energy: -1472.314 where: short stacking energy: -663.640 Base-Backbone interact. energy: -2.481 local terms energy: -684.773142 where: bonds (distance) C4'-P energy: -112.754 bonds (distance) P-C4' energy: -140.060 flat angles C4'-P-C4' energy: -149.102 flat angles P-C4'-P energy: -112.912 tors. eta vs tors. theta energy: -169.945 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: 320 Temperature: 1.150000 Total energy: -1868.385946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.385946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.385946 (E_RNA) where: Base-Base interactions energy: -1210.906 where: short stacking energy: -558.968 Base-Backbone interact. energy: -3.766 local terms energy: -653.713368 where: bonds (distance) C4'-P energy: -136.090 bonds (distance) P-C4' energy: -142.083 flat angles C4'-P-C4' energy: -151.931 flat angles P-C4'-P energy: -96.910 tors. eta vs tors. theta energy: -126.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1553.166304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.166304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.166304 (E_RNA) where: Base-Base interactions energy: -962.132 where: short stacking energy: -460.209 Base-Backbone interact. energy: -2.413 local terms energy: -588.621435 where: bonds (distance) C4'-P energy: -141.231 bonds (distance) P-C4' energy: -141.239 flat angles C4'-P-C4' energy: -144.051 flat angles P-C4'-P energy: -73.788 tors. eta vs tors. theta energy: -88.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1143.070975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.070975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.070975 (E_RNA) where: Base-Base interactions energy: -629.211 where: short stacking energy: -322.893 Base-Backbone interact. energy: 7.201 local terms energy: -521.060685 where: bonds (distance) C4'-P energy: -131.673 bonds (distance) P-C4' energy: -145.818 flat angles C4'-P-C4' energy: -127.579 flat angles P-C4'-P energy: -86.365 tors. eta vs tors. theta energy: -29.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -915.904897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.904897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.904897 (E_RNA) where: Base-Base interactions energy: -450.937 where: short stacking energy: -267.342 Base-Backbone interact. energy: 3.177 local terms energy: -468.144981 where: bonds (distance) C4'-P energy: -140.890 bonds (distance) P-C4' energy: -135.632 flat angles C4'-P-C4' energy: -103.935 flat angles P-C4'-P energy: -83.380 tors. eta vs tors. theta energy: -4.308 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: 10 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -713.642115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.642115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.642115 (E_RNA) where: Base-Base interactions energy: -312.498 where: short stacking energy: -169.450 Base-Backbone interact. energy: -0.220 local terms energy: -400.924797 where: bonds (distance) C4'-P energy: -130.989 bonds (distance) P-C4' energy: -155.532 flat angles C4'-P-C4' energy: -86.185 flat angles P-C4'-P energy: -71.396 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: 1, replica: 1 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2781.891070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.891070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.891070 (E_RNA) where: Base-Base interactions energy: -1894.044 where: short stacking energy: -838.809 Base-Backbone interact. energy: -2.173 local terms energy: -885.673804 where: bonds (distance) C4'-P energy: -157.277 bonds (distance) P-C4' energy: -171.167 flat angles C4'-P-C4' energy: -183.958 flat angles P-C4'-P energy: -126.479 tors. eta vs tors. theta energy: -246.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2552.698129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.698129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.698129 (E_RNA) where: Base-Base interactions energy: -1768.604 where: short stacking energy: -731.150 Base-Backbone interact. energy: -0.865 local terms energy: -783.228882 where: bonds (distance) C4'-P energy: -143.321 bonds (distance) P-C4' energy: -159.692 flat angles C4'-P-C4' energy: -179.580 flat angles P-C4'-P energy: -110.868 tors. eta vs tors. theta energy: -189.768 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: 3, replica: 3 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2455.931409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.931409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.931409 (E_RNA) where: Base-Base interactions energy: -1671.175 where: short stacking energy: -709.611 Base-Backbone interact. energy: 1.228 local terms energy: -785.984720 where: bonds (distance) C4'-P energy: -145.743 bonds (distance) P-C4' energy: -155.156 flat angles C4'-P-C4' energy: -166.990 flat angles P-C4'-P energy: -118.881 tors. eta vs tors. theta energy: -199.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2308.195783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.195783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.195783 (E_RNA) where: Base-Base interactions energy: -1579.843 where: short stacking energy: -656.424 Base-Backbone interact. energy: 4.470 local terms energy: -732.822490 where: bonds (distance) C4'-P energy: -149.658 bonds (distance) P-C4' energy: -141.917 flat angles C4'-P-C4' energy: -162.201 flat angles P-C4'-P energy: -112.741 tors. eta vs tors. theta energy: -166.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2128.801586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.801586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.801586 (E_RNA) where: Base-Base interactions energy: -1398.073 where: short stacking energy: -641.078 Base-Backbone interact. energy: -2.435 local terms energy: -728.294151 where: bonds (distance) C4'-P energy: -156.993 bonds (distance) P-C4' energy: -151.623 flat angles C4'-P-C4' energy: -158.986 flat angles P-C4'-P energy: -107.082 tors. eta vs tors. theta energy: -153.612 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: 321 Temperature: 1.150000 Total energy: -1932.660388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.660388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.660388 (E_RNA) where: Base-Base interactions energy: -1254.816 where: short stacking energy: -555.105 Base-Backbone interact. energy: 0.099 local terms energy: -677.943431 where: bonds (distance) C4'-P energy: -133.617 bonds (distance) P-C4' energy: -150.346 flat angles C4'-P-C4' energy: -166.200 flat angles P-C4'-P energy: -96.688 tors. eta vs tors. theta energy: -131.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1526.280107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.280107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.280107 (E_RNA) where: Base-Base interactions energy: -956.145 where: short stacking energy: -450.323 Base-Backbone interact. energy: -4.006 local terms energy: -566.129231 where: bonds (distance) C4'-P energy: -133.296 bonds (distance) P-C4' energy: -145.930 flat angles C4'-P-C4' energy: -141.600 flat angles P-C4'-P energy: -79.237 tors. eta vs tors. theta energy: -66.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1089.262242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.262242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.262242 (E_RNA) where: Base-Base interactions energy: -562.582 where: short stacking energy: -304.540 Base-Backbone interact. energy: 1.525 local terms energy: -528.205906 where: bonds (distance) C4'-P energy: -138.499 bonds (distance) P-C4' energy: -158.834 flat angles C4'-P-C4' energy: -126.158 flat angles P-C4'-P energy: -86.948 tors. eta vs tors. theta energy: -17.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -981.670754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.670754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.670754 (E_RNA) where: Base-Base interactions energy: -492.345 where: short stacking energy: -256.282 Base-Backbone interact. energy: -1.587 local terms energy: -487.739339 where: bonds (distance) C4'-P energy: -133.070 bonds (distance) P-C4' energy: -142.517 flat angles C4'-P-C4' energy: -124.019 flat angles P-C4'-P energy: -72.884 tors. eta vs tors. theta energy: -15.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -666.857225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.857225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.857225 (E_RNA) where: Base-Base interactions energy: -302.350 where: short stacking energy: -211.778 Base-Backbone interact. energy: 10.023 local terms energy: -374.530446 where: bonds (distance) C4'-P energy: -108.269 bonds (distance) P-C4' energy: -138.028 flat angles C4'-P-C4' energy: -107.429 flat angles P-C4'-P energy: -54.101 tors. eta vs tors. theta energy: 33.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2713.827586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.827586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.827586 (E_RNA) where: Base-Base interactions energy: -1846.016 where: short stacking energy: -844.297 Base-Backbone interact. energy: -3.021 local terms energy: -864.790533 where: bonds (distance) C4'-P energy: -159.636 bonds (distance) P-C4' energy: -156.242 flat angles C4'-P-C4' energy: -184.878 flat angles P-C4'-P energy: -112.558 tors. eta vs tors. theta energy: -251.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2592.905817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.905817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.905817 (E_RNA) where: Base-Base interactions energy: -1812.729 where: short stacking energy: -755.869 Base-Backbone interact. energy: -4.111 local terms energy: -776.065389 where: bonds (distance) C4'-P energy: -137.246 bonds (distance) P-C4' energy: -156.743 flat angles C4'-P-C4' energy: -180.506 flat angles P-C4'-P energy: -103.176 tors. eta vs tors. theta energy: -198.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2439.195218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.195218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.195218 (E_RNA) where: Base-Base interactions energy: -1656.511 where: short stacking energy: -730.084 Base-Backbone interact. energy: -0.788 local terms energy: -781.895944 where: bonds (distance) C4'-P energy: -123.408 bonds (distance) P-C4' energy: -153.147 flat angles C4'-P-C4' energy: -178.861 flat angles P-C4'-P energy: -122.962 tors. eta vs tors. theta energy: -203.518 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: 4, replica: 9 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2295.985652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.985652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.985652 (E_RNA) where: Base-Base interactions energy: -1557.035 where: short stacking energy: -656.894 Base-Backbone interact. energy: -2.687 local terms energy: -736.263744 where: bonds (distance) C4'-P energy: -147.992 bonds (distance) P-C4' energy: -160.147 flat angles C4'-P-C4' energy: -162.825 flat angles P-C4'-P energy: -102.710 tors. eta vs tors. theta energy: -162.590 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: 5, replica: 4 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2148.494228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.494228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.494228 (E_RNA) where: Base-Base interactions energy: -1412.634 where: short stacking energy: -623.640 Base-Backbone interact. energy: -0.751 local terms energy: -735.109339 where: bonds (distance) C4'-P energy: -156.273 bonds (distance) P-C4' energy: -160.076 flat angles C4'-P-C4' energy: -156.995 flat angles P-C4'-P energy: -104.797 tors. eta vs tors. theta energy: -156.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1979.889829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.889829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.889829 (E_RNA) where: Base-Base interactions energy: -1313.406 where: short stacking energy: -564.044 Base-Backbone interact. energy: -3.917 local terms energy: -662.566978 where: bonds (distance) C4'-P energy: -159.519 bonds (distance) P-C4' energy: -137.134 flat angles C4'-P-C4' energy: -135.733 flat angles P-C4'-P energy: -93.148 tors. eta vs tors. theta energy: -137.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1531.794979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.794979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.794979 (E_RNA) where: Base-Base interactions energy: -968.014 where: short stacking energy: -446.947 Base-Backbone interact. energy: -4.034 local terms energy: -559.747155 where: bonds (distance) C4'-P energy: -130.909 bonds (distance) P-C4' energy: -137.511 flat angles C4'-P-C4' energy: -131.791 flat angles P-C4'-P energy: -79.946 tors. eta vs tors. theta energy: -79.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1102.645149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.645149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.645149 (E_RNA) where: Base-Base interactions energy: -593.661 where: short stacking energy: -293.723 Base-Backbone interact. energy: 3.386 local terms energy: -512.370120 where: bonds (distance) C4'-P energy: -135.071 bonds (distance) P-C4' energy: -142.592 flat angles C4'-P-C4' energy: -123.726 flat angles P-C4'-P energy: -88.931 tors. eta vs tors. theta energy: -22.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1022.444369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.444369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.444369 (E_RNA) where: Base-Base interactions energy: -530.672 where: short stacking energy: -293.926 Base-Backbone interact. energy: 3.520 local terms energy: -495.292073 where: bonds (distance) C4'-P energy: -121.116 bonds (distance) P-C4' energy: -142.215 flat angles C4'-P-C4' energy: -104.622 flat angles P-C4'-P energy: -90.154 tors. eta vs tors. theta energy: -37.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -662.768534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.768534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.768534 (E_RNA) where: Base-Base interactions energy: -236.454 where: short stacking energy: -189.238 Base-Backbone interact. energy: -1.530 local terms energy: -424.784527 where: bonds (distance) C4'-P energy: -123.523 bonds (distance) P-C4' energy: -131.851 flat angles C4'-P-C4' energy: -111.626 flat angles P-C4'-P energy: -76.566 tors. eta vs tors. theta energy: 18.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2716.696911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.696911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.696911 (E_RNA) where: Base-Base interactions energy: -1861.923 where: short stacking energy: -833.139 Base-Backbone interact. energy: 3.362 local terms energy: -858.135433 where: bonds (distance) C4'-P energy: -154.541 bonds (distance) P-C4' energy: -167.881 flat angles C4'-P-C4' energy: -176.975 flat angles P-C4'-P energy: -120.590 tors. eta vs tors. theta energy: -238.149 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: 323 Temperature: 0.950000 Total energy: -2581.643433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.643433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.643433 (E_RNA) where: Base-Base interactions energy: -1762.778 where: short stacking energy: -739.669 Base-Backbone interact. energy: -2.985 local terms energy: -815.879702 where: bonds (distance) C4'-P energy: -155.657 bonds (distance) P-C4' energy: -162.457 flat angles C4'-P-C4' energy: -170.454 flat angles P-C4'-P energy: -123.679 tors. eta vs tors. theta energy: -203.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2449.029403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.029403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.029403 (E_RNA) where: Base-Base interactions energy: -1693.271 where: short stacking energy: -712.087 Base-Backbone interact. energy: -0.323 local terms energy: -755.434868 where: bonds (distance) C4'-P energy: -150.579 bonds (distance) P-C4' energy: -140.728 flat angles C4'-P-C4' energy: -156.545 flat angles P-C4'-P energy: -108.929 tors. eta vs tors. theta energy: -198.655 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: 9 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2268.655328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.655328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.655328 (E_RNA) where: Base-Base interactions energy: -1525.367 where: short stacking energy: -651.439 Base-Backbone interact. energy: -4.401 local terms energy: -738.887420 where: bonds (distance) C4'-P energy: -144.394 bonds (distance) P-C4' energy: -153.184 flat angles C4'-P-C4' energy: -164.328 flat angles P-C4'-P energy: -107.592 tors. eta vs tors. theta energy: -169.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2138.224892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.224892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.224892 (E_RNA) where: Base-Base interactions energy: -1424.399 where: short stacking energy: -612.196 Base-Backbone interact. energy: -3.794 local terms energy: -710.032172 where: bonds (distance) C4'-P energy: -132.968 bonds (distance) P-C4' energy: -155.409 flat angles C4'-P-C4' energy: -156.321 flat angles P-C4'-P energy: -90.531 tors. eta vs tors. theta energy: -174.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1924.980129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.980129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.980129 (E_RNA) where: Base-Base interactions energy: -1283.659 where: short stacking energy: -550.337 Base-Backbone interact. energy: -2.554 local terms energy: -638.767202 where: bonds (distance) C4'-P energy: -153.017 bonds (distance) P-C4' energy: -127.556 flat angles C4'-P-C4' energy: -160.018 flat angles P-C4'-P energy: -81.154 tors. eta vs tors. theta energy: -117.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1621.719462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.719462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.719462 (E_RNA) where: Base-Base interactions energy: -1066.564 where: short stacking energy: -504.485 Base-Backbone interact. energy: -2.880 local terms energy: -552.275768 where: bonds (distance) C4'-P energy: -113.447 bonds (distance) P-C4' energy: -137.665 flat angles C4'-P-C4' energy: -117.842 flat angles P-C4'-P energy: -87.306 tors. eta vs tors. theta energy: -96.015 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: 6 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1048.825695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.825695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.825695 (E_RNA) where: Base-Base interactions energy: -563.475 where: short stacking energy: -321.393 Base-Backbone interact. energy: -0.202 local terms energy: -485.148706 where: bonds (distance) C4'-P energy: -126.436 bonds (distance) P-C4' energy: -143.229 flat angles C4'-P-C4' energy: -122.491 flat angles P-C4'-P energy: -65.576 tors. eta vs tors. theta energy: -27.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -951.758164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.758164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.758164 (E_RNA) where: Base-Base interactions energy: -485.442 where: short stacking energy: -277.198 Base-Backbone interact. energy: 5.480 local terms energy: -471.796525 where: bonds (distance) C4'-P energy: -144.996 bonds (distance) P-C4' energy: -145.559 flat angles C4'-P-C4' energy: -120.354 flat angles P-C4'-P energy: -47.688 tors. eta vs tors. theta energy: -13.201 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: 10 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -680.220938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.220938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.220938 (E_RNA) where: Base-Base interactions energy: -265.202 where: short stacking energy: -181.760 Base-Backbone interact. energy: -1.268 local terms energy: -413.751365 where: bonds (distance) C4'-P energy: -121.866 bonds (distance) P-C4' energy: -140.250 flat angles C4'-P-C4' energy: -98.786 flat angles P-C4'-P energy: -71.303 tors. eta vs tors. theta energy: 18.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2690.991758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.991758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.991758 (E_RNA) where: Base-Base interactions energy: -1831.755 where: short stacking energy: -812.997 Base-Backbone interact. energy: -2.335 local terms energy: -856.901036 where: bonds (distance) C4'-P energy: -156.920 bonds (distance) P-C4' energy: -169.937 flat angles C4'-P-C4' energy: -185.962 flat angles P-C4'-P energy: -112.805 tors. eta vs tors. theta energy: -231.278 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: 2 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2591.192843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.192843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.192843 (E_RNA) where: Base-Base interactions energy: -1765.924 where: short stacking energy: -760.801 Base-Backbone interact. energy: -3.274 local terms energy: -821.994542 where: bonds (distance) C4'-P energy: -151.905 bonds (distance) P-C4' energy: -152.904 flat angles C4'-P-C4' energy: -187.479 flat angles P-C4'-P energy: -122.287 tors. eta vs tors. theta energy: -207.420 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: 3 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2454.764933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.764933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.764933 (E_RNA) where: Base-Base interactions energy: -1685.749 where: short stacking energy: -743.774 Base-Backbone interact. energy: 1.403 local terms energy: -770.418360 where: bonds (distance) C4'-P energy: -143.352 bonds (distance) P-C4' energy: -164.366 flat angles C4'-P-C4' energy: -170.798 flat angles P-C4'-P energy: -98.912 tors. eta vs tors. theta energy: -192.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2382.099484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.099484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.099484 (E_RNA) where: Base-Base interactions energy: -1611.551 where: short stacking energy: -671.105 Base-Backbone interact. energy: -1.867 local terms energy: -768.681563 where: bonds (distance) C4'-P energy: -141.270 bonds (distance) P-C4' energy: -158.649 flat angles C4'-P-C4' energy: -170.181 flat angles P-C4'-P energy: -114.590 tors. eta vs tors. theta energy: -183.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2172.605490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.605490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.605490 (E_RNA) where: Base-Base interactions energy: -1445.056 where: short stacking energy: -632.572 Base-Backbone interact. energy: -1.544 local terms energy: -726.006109 where: bonds (distance) C4'-P energy: -135.674 bonds (distance) P-C4' energy: -148.502 flat angles C4'-P-C4' energy: -171.852 flat angles P-C4'-P energy: -105.312 tors. eta vs tors. theta energy: -164.666 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: 5 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1880.649050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.649050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.649050 (E_RNA) where: Base-Base interactions energy: -1232.346 where: short stacking energy: -518.382 Base-Backbone interact. energy: -2.041 local terms energy: -646.261257 where: bonds (distance) C4'-P energy: -147.792 bonds (distance) P-C4' energy: -146.036 flat angles C4'-P-C4' energy: -159.273 flat angles P-C4'-P energy: -90.716 tors. eta vs tors. theta energy: -102.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1566.475449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.475449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.475449 (E_RNA) where: Base-Base interactions energy: -992.167 where: short stacking energy: -462.492 Base-Backbone interact. energy: -1.042 local terms energy: -573.266421 where: bonds (distance) C4'-P energy: -149.200 bonds (distance) P-C4' energy: -145.467 flat angles C4'-P-C4' energy: -119.529 flat angles P-C4'-P energy: -85.582 tors. eta vs tors. theta energy: -73.489 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: 6 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1054.494114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.494114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.494114 (E_RNA) where: Base-Base interactions energy: -554.042 where: short stacking energy: -297.277 Base-Backbone interact. energy: 4.669 local terms energy: -505.121096 where: bonds (distance) C4'-P energy: -141.829 bonds (distance) P-C4' energy: -154.189 flat angles C4'-P-C4' energy: -128.699 flat angles P-C4'-P energy: -78.387 tors. eta vs tors. theta energy: -2.017 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: 9, replica: 7 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -912.178815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.178815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.178815 (E_RNA) where: Base-Base interactions energy: -465.188 where: short stacking energy: -281.256 Base-Backbone interact. energy: 0.732 local terms energy: -447.722705 where: bonds (distance) C4'-P energy: -108.889 bonds (distance) P-C4' energy: -127.301 flat angles C4'-P-C4' energy: -120.925 flat angles P-C4'-P energy: -74.033 tors. eta vs tors. theta energy: -16.574 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: 10 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -645.524248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.524248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.524248 (E_RNA) where: Base-Base interactions energy: -227.671 where: short stacking energy: -184.047 Base-Backbone interact. energy: 0.242 local terms energy: -418.095255 where: bonds (distance) C4'-P energy: -130.564 bonds (distance) P-C4' energy: -151.512 flat angles C4'-P-C4' energy: -99.520 flat angles P-C4'-P energy: -55.102 tors. eta vs tors. theta energy: 18.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2731.028530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.028530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.028530 (E_RNA) where: Base-Base interactions energy: -1862.570 where: short stacking energy: -839.132 Base-Backbone interact. energy: -4.485 local terms energy: -863.973827 where: bonds (distance) C4'-P energy: -149.646 bonds (distance) P-C4' energy: -150.139 flat angles C4'-P-C4' energy: -189.109 flat angles P-C4'-P energy: -123.747 tors. eta vs tors. theta energy: -251.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2615.686161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.686161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.686161 (E_RNA) where: Base-Base interactions energy: -1787.836 where: short stacking energy: -805.961 Base-Backbone interact. energy: -3.732 local terms energy: -824.118097 where: bonds (distance) C4'-P energy: -148.484 bonds (distance) P-C4' energy: -163.949 flat angles C4'-P-C4' energy: -173.608 flat angles P-C4'-P energy: -123.337 tors. eta vs tors. theta energy: -214.741 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: 3 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2464.271187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.271187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.271187 (E_RNA) where: Base-Base interactions energy: -1658.112 where: short stacking energy: -733.679 Base-Backbone interact. energy: -3.651 local terms energy: -802.507705 where: bonds (distance) C4'-P energy: -152.772 bonds (distance) P-C4' energy: -147.037 flat angles C4'-P-C4' energy: -178.481 flat angles P-C4'-P energy: -126.624 tors. eta vs tors. theta energy: -197.594 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: 9 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2314.854791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.854791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.854791 (E_RNA) where: Base-Base interactions energy: -1583.311 where: short stacking energy: -667.364 Base-Backbone interact. energy: -1.413 local terms energy: -730.131460 where: bonds (distance) C4'-P energy: -147.830 bonds (distance) P-C4' energy: -166.503 flat angles C4'-P-C4' energy: -162.784 flat angles P-C4'-P energy: -95.522 tors. eta vs tors. theta energy: -157.491 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: 4 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2150.738011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.738011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.738011 (E_RNA) where: Base-Base interactions energy: -1465.174 where: short stacking energy: -644.025 Base-Backbone interact. energy: -2.599 local terms energy: -682.965139 where: bonds (distance) C4'-P energy: -126.821 bonds (distance) P-C4' energy: -137.329 flat angles C4'-P-C4' energy: -153.805 flat angles P-C4'-P energy: -98.658 tors. eta vs tors. theta energy: -166.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1818.468596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.468596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.468596 (E_RNA) where: Base-Base interactions energy: -1197.970 where: short stacking energy: -512.834 Base-Backbone interact. energy: -2.363 local terms energy: -618.136088 where: bonds (distance) C4'-P energy: -130.920 bonds (distance) P-C4' energy: -152.066 flat angles C4'-P-C4' energy: -138.991 flat angles P-C4'-P energy: -90.265 tors. eta vs tors. theta energy: -105.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1555.845848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.845848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.845848 (E_RNA) where: Base-Base interactions energy: -973.252 where: short stacking energy: -428.053 Base-Backbone interact. energy: 0.276 local terms energy: -582.870097 where: bonds (distance) C4'-P energy: -137.435 bonds (distance) P-C4' energy: -134.237 flat angles C4'-P-C4' energy: -145.157 flat angles P-C4'-P energy: -104.837 tors. eta vs tors. theta energy: -61.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1007.857139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.857139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.857139 (E_RNA) where: Base-Base interactions energy: -544.268 where: short stacking energy: -297.846 Base-Backbone interact. energy: -2.827 local terms energy: -460.761293 where: bonds (distance) C4'-P energy: -125.771 bonds (distance) P-C4' energy: -124.746 flat angles C4'-P-C4' energy: -140.156 flat angles P-C4'-P energy: -55.501 tors. eta vs tors. theta energy: -14.587 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: 9, replica: 7 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -896.692936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.692936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.692936 (E_RNA) where: Base-Base interactions energy: -419.913 where: short stacking energy: -266.254 Base-Backbone interact. energy: -2.427 local terms energy: -474.353120 where: bonds (distance) C4'-P energy: -131.421 bonds (distance) P-C4' energy: -139.324 flat angles C4'-P-C4' energy: -120.524 flat angles P-C4'-P energy: -66.167 tors. eta vs tors. theta energy: -16.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -626.517854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.517854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.517854 (E_RNA) where: Base-Base interactions energy: -251.379 where: short stacking energy: -187.725 Base-Backbone interact. energy: -0.205 local terms energy: -374.933320 where: bonds (distance) C4'-P energy: -120.042 bonds (distance) P-C4' energy: -136.899 flat angles C4'-P-C4' energy: -105.657 flat angles P-C4'-P energy: -39.657 tors. eta vs tors. theta energy: 27.321 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: 1 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2692.483307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.483307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.483307 (E_RNA) where: Base-Base interactions energy: -1813.213 where: short stacking energy: -797.497 Base-Backbone interact. energy: -4.538 local terms energy: -874.732886 where: bonds (distance) C4'-P energy: -159.242 bonds (distance) P-C4' energy: -155.775 flat angles C4'-P-C4' energy: -195.881 flat angles P-C4'-P energy: -113.264 tors. eta vs tors. theta energy: -250.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2590.302254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.302254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.302254 (E_RNA) where: Base-Base interactions energy: -1792.098 where: short stacking energy: -750.310 Base-Backbone interact. energy: -2.457 local terms energy: -795.746870 where: bonds (distance) C4'-P energy: -147.901 bonds (distance) P-C4' energy: -149.937 flat angles C4'-P-C4' energy: -177.267 flat angles P-C4'-P energy: -116.324 tors. eta vs tors. theta energy: -204.318 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: 3 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2496.302223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.302223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.302223 (E_RNA) where: Base-Base interactions energy: -1712.686 where: short stacking energy: -764.688 Base-Backbone interact. energy: -1.389 local terms energy: -782.226681 where: bonds (distance) C4'-P energy: -147.382 bonds (distance) P-C4' energy: -144.971 flat angles C4'-P-C4' energy: -179.262 flat angles P-C4'-P energy: -108.299 tors. eta vs tors. theta energy: -202.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2340.483667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.483667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.483667 (E_RNA) where: Base-Base interactions energy: -1590.661 where: short stacking energy: -668.357 Base-Backbone interact. energy: -3.009 local terms energy: -746.814092 where: bonds (distance) C4'-P energy: -141.697 bonds (distance) P-C4' energy: -139.866 flat angles C4'-P-C4' energy: -173.369 flat angles P-C4'-P energy: -116.613 tors. eta vs tors. theta energy: -175.270 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: 5, replica: 4 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2098.682201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.682201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.682201 (E_RNA) where: Base-Base interactions energy: -1380.039 where: short stacking energy: -601.113 Base-Backbone interact. energy: -1.530 local terms energy: -717.112758 where: bonds (distance) C4'-P energy: -148.952 bonds (distance) P-C4' energy: -153.908 flat angles C4'-P-C4' energy: -159.951 flat angles P-C4'-P energy: -110.217 tors. eta vs tors. theta energy: -144.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1877.190213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.190213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.190213 (E_RNA) where: Base-Base interactions energy: -1221.944 where: short stacking energy: -547.959 Base-Backbone interact. energy: 6.118 local terms energy: -661.364793 where: bonds (distance) C4'-P energy: -117.110 bonds (distance) P-C4' energy: -148.731 flat angles C4'-P-C4' energy: -170.387 flat angles P-C4'-P energy: -98.261 tors. eta vs tors. theta energy: -126.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1557.280200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.280200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.280200 (E_RNA) where: Base-Base interactions energy: -967.738 where: short stacking energy: -455.986 Base-Backbone interact. energy: -2.975 local terms energy: -586.567372 where: bonds (distance) C4'-P energy: -134.195 bonds (distance) P-C4' energy: -149.820 flat angles C4'-P-C4' energy: -144.835 flat angles P-C4'-P energy: -74.128 tors. eta vs tors. theta energy: -83.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1043.936473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.936473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.936473 (E_RNA) where: Base-Base interactions energy: -495.575 where: short stacking energy: -285.731 Base-Backbone interact. energy: -4.777 local terms energy: -543.584552 where: bonds (distance) C4'-P energy: -158.643 bonds (distance) P-C4' energy: -133.832 flat angles C4'-P-C4' energy: -145.123 flat angles P-C4'-P energy: -82.006 tors. eta vs tors. theta energy: -23.980 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: 7 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -909.581531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.581531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.581531 (E_RNA) where: Base-Base interactions energy: -459.634 where: short stacking energy: -258.627 Base-Backbone interact. energy: -3.095 local terms energy: -446.852493 where: bonds (distance) C4'-P energy: -119.787 bonds (distance) P-C4' energy: -138.280 flat angles C4'-P-C4' energy: -130.112 flat angles P-C4'-P energy: -59.092 tors. eta vs tors. theta energy: 0.419 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: 10, replica: 10 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -733.821554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.821554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.821554 (E_RNA) where: Base-Base interactions energy: -370.634 where: short stacking energy: -235.571 Base-Backbone interact. energy: 9.873 local terms energy: -373.061341 where: bonds (distance) C4'-P energy: -97.489 bonds (distance) P-C4' energy: -139.354 flat angles C4'-P-C4' energy: -94.753 flat angles P-C4'-P energy: -61.651 tors. eta vs tors. theta energy: 20.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2705.898280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.898280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.898280 (E_RNA) where: Base-Base interactions energy: -1833.743 where: short stacking energy: -824.067 Base-Backbone interact. energy: -4.249 local terms energy: -867.906117 where: bonds (distance) C4'-P energy: -166.472 bonds (distance) P-C4' energy: -163.255 flat angles C4'-P-C4' energy: -183.389 flat angles P-C4'-P energy: -108.189 tors. eta vs tors. theta energy: -246.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2660.741429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.741429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.741429 (E_RNA) where: Base-Base interactions energy: -1805.387 where: short stacking energy: -777.128 Base-Backbone interact. energy: -5.242 local terms energy: -850.113243 where: bonds (distance) C4'-P energy: -151.605 bonds (distance) P-C4' energy: -168.840 flat angles C4'-P-C4' energy: -183.603 flat angles P-C4'-P energy: -130.422 tors. eta vs tors. theta energy: -215.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2503.962604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.962604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.962604 (E_RNA) where: Base-Base interactions energy: -1701.710 where: short stacking energy: -752.486 Base-Backbone interact. energy: -5.124 local terms energy: -797.128839 where: bonds (distance) C4'-P energy: -159.994 bonds (distance) P-C4' energy: -150.820 flat angles C4'-P-C4' energy: -168.252 flat angles P-C4'-P energy: -103.040 tors. eta vs tors. theta energy: -215.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2362.423501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.423501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.423501 (E_RNA) where: Base-Base interactions energy: -1644.064 where: short stacking energy: -668.429 Base-Backbone interact. energy: -0.417 local terms energy: -717.942170 where: bonds (distance) C4'-P energy: -150.081 bonds (distance) P-C4' energy: -137.791 flat angles C4'-P-C4' energy: -160.926 flat angles P-C4'-P energy: -97.975 tors. eta vs tors. theta energy: -171.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2097.854012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.854012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.854012 (E_RNA) where: Base-Base interactions energy: -1384.949 where: short stacking energy: -610.582 Base-Backbone interact. energy: 1.394 local terms energy: -714.298758 where: bonds (distance) C4'-P energy: -127.786 bonds (distance) P-C4' energy: -147.788 flat angles C4'-P-C4' energy: -167.410 flat angles P-C4'-P energy: -112.436 tors. eta vs tors. theta energy: -158.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1880.115135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.115135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.115135 (E_RNA) where: Base-Base interactions energy: -1224.021 where: short stacking energy: -569.853 Base-Backbone interact. energy: -1.427 local terms energy: -654.667670 where: bonds (distance) C4'-P energy: -152.463 bonds (distance) P-C4' energy: -144.602 flat angles C4'-P-C4' energy: -141.945 flat angles P-C4'-P energy: -89.856 tors. eta vs tors. theta energy: -125.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1563.211243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.211243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.211243 (E_RNA) where: Base-Base interactions energy: -971.510 where: short stacking energy: -470.289 Base-Backbone interact. energy: -0.520 local terms energy: -591.181539 where: bonds (distance) C4'-P energy: -142.821 bonds (distance) P-C4' energy: -152.801 flat angles C4'-P-C4' energy: -116.163 flat angles P-C4'-P energy: -95.595 tors. eta vs tors. theta energy: -83.802 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: 6 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1012.062203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.062203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.062203 (E_RNA) where: Base-Base interactions energy: -506.852 where: short stacking energy: -300.652 Base-Backbone interact. energy: -1.562 local terms energy: -503.648831 where: bonds (distance) C4'-P energy: -120.864 bonds (distance) P-C4' energy: -158.881 flat angles C4'-P-C4' energy: -129.054 flat angles P-C4'-P energy: -64.652 tors. eta vs tors. theta energy: -30.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -900.115667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.115667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.115667 (E_RNA) where: Base-Base interactions energy: -446.296 where: short stacking energy: -256.895 Base-Backbone interact. energy: 6.860 local terms energy: -460.679611 where: bonds (distance) C4'-P energy: -141.417 bonds (distance) P-C4' energy: -166.773 flat angles C4'-P-C4' energy: -94.501 flat angles P-C4'-P energy: -64.957 tors. eta vs tors. theta energy: 6.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -706.092499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.092499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.092499 (E_RNA) where: Base-Base interactions energy: -312.163 where: short stacking energy: -210.300 Base-Backbone interact. energy: -0.824 local terms energy: -393.105159 where: bonds (distance) C4'-P energy: -120.095 bonds (distance) P-C4' energy: -120.931 flat angles C4'-P-C4' energy: -107.853 flat angles P-C4'-P energy: -62.687 tors. eta vs tors. theta energy: 18.461 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: 1 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2694.887947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.887947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.887947 (E_RNA) where: Base-Base interactions energy: -1824.508 where: short stacking energy: -830.497 Base-Backbone interact. energy: -1.125 local terms energy: -869.255102 where: bonds (distance) C4'-P energy: -162.508 bonds (distance) P-C4' energy: -171.053 flat angles C4'-P-C4' energy: -172.131 flat angles P-C4'-P energy: -112.023 tors. eta vs tors. theta energy: -251.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2620.528745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.528745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.528745 (E_RNA) where: Base-Base interactions energy: -1793.455 where: short stacking energy: -798.921 Base-Backbone interact. energy: -6.149 local terms energy: -820.924275 where: bonds (distance) C4'-P energy: -157.099 bonds (distance) P-C4' energy: -153.852 flat angles C4'-P-C4' energy: -179.932 flat angles P-C4'-P energy: -119.898 tors. eta vs tors. theta energy: -210.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2476.691189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.691189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.691189 (E_RNA) where: Base-Base interactions energy: -1677.760 where: short stacking energy: -729.718 Base-Backbone interact. energy: -0.678 local terms energy: -798.253313 where: bonds (distance) C4'-P energy: -143.671 bonds (distance) P-C4' energy: -149.704 flat angles C4'-P-C4' energy: -171.385 flat angles P-C4'-P energy: -122.384 tors. eta vs tors. theta energy: -211.110 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: 9 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2375.766434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.766434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.766434 (E_RNA) where: Base-Base interactions energy: -1595.442 where: short stacking energy: -690.407 Base-Backbone interact. energy: -2.954 local terms energy: -777.370867 where: bonds (distance) C4'-P energy: -143.750 bonds (distance) P-C4' energy: -157.796 flat angles C4'-P-C4' energy: -180.120 flat angles P-C4'-P energy: -118.629 tors. eta vs tors. theta energy: -177.076 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: 4 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2095.377628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.377628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.377628 (E_RNA) where: Base-Base interactions energy: -1383.285 where: short stacking energy: -597.477 Base-Backbone interact. energy: 1.525 local terms energy: -713.617570 where: bonds (distance) C4'-P energy: -148.835 bonds (distance) P-C4' energy: -153.087 flat angles C4'-P-C4' energy: -158.198 flat angles P-C4'-P energy: -100.659 tors. eta vs tors. theta energy: -152.838 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: 5 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1832.655544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.655544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.655544 (E_RNA) where: Base-Base interactions energy: -1179.745 where: short stacking energy: -505.422 Base-Backbone interact. energy: -0.504 local terms energy: -652.406911 where: bonds (distance) C4'-P energy: -139.804 bonds (distance) P-C4' energy: -160.875 flat angles C4'-P-C4' energy: -140.042 flat angles P-C4'-P energy: -97.068 tors. eta vs tors. theta energy: -114.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1502.723594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.723594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.723594 (E_RNA) where: Base-Base interactions energy: -938.634 where: short stacking energy: -428.108 Base-Backbone interact. energy: 0.718 local terms energy: -564.807699 where: bonds (distance) C4'-P energy: -136.456 bonds (distance) P-C4' energy: -129.258 flat angles C4'-P-C4' energy: -140.620 flat angles P-C4'-P energy: -90.535 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: 6 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1039.957662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.957662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.957662 (E_RNA) where: Base-Base interactions energy: -520.310 where: short stacking energy: -312.748 Base-Backbone interact. energy: -1.409 local terms energy: -518.238838 where: bonds (distance) C4'-P energy: -133.765 bonds (distance) P-C4' energy: -147.753 flat angles C4'-P-C4' energy: -129.352 flat angles P-C4'-P energy: -71.631 tors. eta vs tors. theta energy: -35.738 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: 328 Temperature: 1.300000 Total energy: -1010.121317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.121317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.121317 (E_RNA) where: Base-Base interactions energy: -516.631 where: short stacking energy: -254.566 Base-Backbone interact. energy: -3.927 local terms energy: -489.563239 where: bonds (distance) C4'-P energy: -121.772 bonds (distance) P-C4' energy: -142.424 flat angles C4'-P-C4' energy: -122.625 flat angles P-C4'-P energy: -89.666 tors. eta vs tors. theta energy: -13.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -712.085573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.085573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.085573 (E_RNA) where: Base-Base interactions energy: -330.544 where: short stacking energy: -208.678 Base-Backbone interact. energy: 2.841 local terms energy: -384.383023 where: bonds (distance) C4'-P energy: -99.443 bonds (distance) P-C4' energy: -138.403 flat angles C4'-P-C4' energy: -97.958 flat angles P-C4'-P energy: -72.592 tors. eta vs tors. theta energy: 24.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2685.354394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.354394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.354394 (E_RNA) where: Base-Base interactions energy: -1784.597 where: short stacking energy: -836.392 Base-Backbone interact. energy: -2.316 local terms energy: -898.441946 where: bonds (distance) C4'-P energy: -181.115 bonds (distance) P-C4' energy: -153.132 flat angles C4'-P-C4' energy: -191.003 flat angles P-C4'-P energy: -132.810 tors. eta vs tors. theta energy: -240.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2615.372827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.372827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.372827 (E_RNA) where: Base-Base interactions energy: -1784.467 where: short stacking energy: -766.014 Base-Backbone interact. energy: -4.482 local terms energy: -826.424187 where: bonds (distance) C4'-P energy: -158.205 bonds (distance) P-C4' energy: -160.603 flat angles C4'-P-C4' energy: -183.942 flat angles P-C4'-P energy: -119.838 tors. eta vs tors. theta energy: -203.837 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: 3 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2458.183388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.183388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.183388 (E_RNA) where: Base-Base interactions energy: -1669.828 where: short stacking energy: -750.511 Base-Backbone interact. energy: 0.694 local terms energy: -789.049828 where: bonds (distance) C4'-P energy: -143.696 bonds (distance) P-C4' energy: -157.031 flat angles C4'-P-C4' energy: -178.925 flat angles P-C4'-P energy: -107.774 tors. eta vs tors. theta energy: -201.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2366.572589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.572589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.572589 (E_RNA) where: Base-Base interactions energy: -1626.958 where: short stacking energy: -665.118 Base-Backbone interact. energy: -2.502 local terms energy: -737.112317 where: bonds (distance) C4'-P energy: -147.935 bonds (distance) P-C4' energy: -127.478 flat angles C4'-P-C4' energy: -166.557 flat angles P-C4'-P energy: -117.243 tors. eta vs tors. theta energy: -177.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2133.874408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.874408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.874408 (E_RNA) where: Base-Base interactions energy: -1375.045 where: short stacking energy: -615.260 Base-Backbone interact. energy: -3.696 local terms energy: -755.134379 where: bonds (distance) C4'-P energy: -161.065 bonds (distance) P-C4' energy: -163.962 flat angles C4'-P-C4' energy: -170.546 flat angles P-C4'-P energy: -99.993 tors. eta vs tors. theta energy: -159.568 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: 5 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1883.376841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.376841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.376841 (E_RNA) where: Base-Base interactions energy: -1246.879 where: short stacking energy: -567.051 Base-Backbone interact. energy: -0.653 local terms energy: -635.845419 where: bonds (distance) C4'-P energy: -140.774 bonds (distance) P-C4' energy: -155.543 flat angles C4'-P-C4' energy: -146.816 flat angles P-C4'-P energy: -82.438 tors. eta vs tors. theta energy: -110.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1654.791153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.791153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.791153 (E_RNA) where: Base-Base interactions energy: -1084.893 where: short stacking energy: -504.146 Base-Backbone interact. energy: -3.304 local terms energy: -566.593372 where: bonds (distance) C4'-P energy: -134.554 bonds (distance) P-C4' energy: -126.166 flat angles C4'-P-C4' energy: -136.747 flat angles P-C4'-P energy: -69.467 tors. eta vs tors. theta energy: -99.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1122.736513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.736513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.736513 (E_RNA) where: Base-Base interactions energy: -585.055 where: short stacking energy: -304.323 Base-Backbone interact. energy: 3.304 local terms energy: -540.985079 where: bonds (distance) C4'-P energy: -137.878 bonds (distance) P-C4' energy: -147.550 flat angles C4'-P-C4' energy: -140.467 flat angles P-C4'-P energy: -76.320 tors. eta vs tors. theta energy: -38.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -934.402795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.402795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.402795 (E_RNA) where: Base-Base interactions energy: -474.498 where: short stacking energy: -261.319 Base-Backbone interact. energy: -1.165 local terms energy: -458.739667 where: bonds (distance) C4'-P energy: -125.482 bonds (distance) P-C4' energy: -143.160 flat angles C4'-P-C4' energy: -117.820 flat angles P-C4'-P energy: -65.337 tors. eta vs tors. theta energy: -6.941 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: 10 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -711.864146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.864146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.864146 (E_RNA) where: Base-Base interactions energy: -321.230 where: short stacking energy: -208.820 Base-Backbone interact. energy: -0.128 local terms energy: -390.506036 where: bonds (distance) C4'-P energy: -111.383 bonds (distance) P-C4' energy: -133.572 flat angles C4'-P-C4' energy: -121.911 flat angles P-C4'-P energy: -36.361 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: 1 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2719.386582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.386582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.386582 (E_RNA) where: Base-Base interactions energy: -1849.879 where: short stacking energy: -829.491 Base-Backbone interact. energy: -4.258 local terms energy: -865.249661 where: bonds (distance) C4'-P energy: -157.811 bonds (distance) P-C4' energy: -154.465 flat angles C4'-P-C4' energy: -177.833 flat angles P-C4'-P energy: -131.380 tors. eta vs tors. theta energy: -243.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2641.039794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.039794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.039794 (E_RNA) where: Base-Base interactions energy: -1817.338 where: short stacking energy: -793.219 Base-Backbone interact. energy: -5.442 local terms energy: -818.259501 where: bonds (distance) C4'-P energy: -151.954 bonds (distance) P-C4' energy: -157.027 flat angles C4'-P-C4' energy: -184.961 flat angles P-C4'-P energy: -120.702 tors. eta vs tors. theta energy: -203.616 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: 3 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2399.053678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.053678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.053678 (E_RNA) where: Base-Base interactions energy: -1617.905 where: short stacking energy: -717.296 Base-Backbone interact. energy: -2.865 local terms energy: -778.284143 where: bonds (distance) C4'-P energy: -141.492 bonds (distance) P-C4' energy: -147.579 flat angles C4'-P-C4' energy: -173.597 flat angles P-C4'-P energy: -113.665 tors. eta vs tors. theta energy: -201.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2338.940620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.940620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.940620 (E_RNA) where: Base-Base interactions energy: -1582.450 where: short stacking energy: -700.100 Base-Backbone interact. energy: -4.334 local terms energy: -752.157125 where: bonds (distance) C4'-P energy: -147.755 bonds (distance) P-C4' energy: -148.936 flat angles C4'-P-C4' energy: -160.673 flat angles P-C4'-P energy: -119.862 tors. eta vs tors. theta energy: -174.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2208.172543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.172543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.172543 (E_RNA) where: Base-Base interactions energy: -1499.918 where: short stacking energy: -648.345 Base-Backbone interact. energy: 0.403 local terms energy: -708.657109 where: bonds (distance) C4'-P energy: -144.055 bonds (distance) P-C4' energy: -135.909 flat angles C4'-P-C4' energy: -164.309 flat angles P-C4'-P energy: -102.251 tors. eta vs tors. theta energy: -162.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -2043.264057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.264057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.264057 (E_RNA) where: Base-Base interactions energy: -1364.106 where: short stacking energy: -603.030 Base-Backbone interact. energy: -2.261 local terms energy: -676.897542 where: bonds (distance) C4'-P energy: -125.556 bonds (distance) P-C4' energy: -147.143 flat angles C4'-P-C4' energy: -162.735 flat angles P-C4'-P energy: -81.009 tors. eta vs tors. theta energy: -160.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1703.784744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.784744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.784744 (E_RNA) where: Base-Base interactions energy: -1106.019 where: short stacking energy: -470.940 Base-Backbone interact. energy: -0.050 local terms energy: -597.715526 where: bonds (distance) C4'-P energy: -131.022 bonds (distance) P-C4' energy: -144.397 flat angles C4'-P-C4' energy: -127.457 flat angles P-C4'-P energy: -94.837 tors. eta vs tors. theta energy: -100.003 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: 330 Temperature: 1.250000 Total energy: -1085.261537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.261537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.261537 (E_RNA) where: Base-Base interactions energy: -583.902 where: short stacking energy: -295.241 Base-Backbone interact. energy: -1.651 local terms energy: -499.707973 where: bonds (distance) C4'-P energy: -135.297 bonds (distance) P-C4' energy: -132.017 flat angles C4'-P-C4' energy: -133.227 flat angles P-C4'-P energy: -72.124 tors. eta vs tors. theta energy: -27.043 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: 6 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -879.447635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.447635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.447635 (E_RNA) where: Base-Base interactions energy: -461.933 where: short stacking energy: -281.363 Base-Backbone interact. energy: 4.133 local terms energy: -421.647442 where: bonds (distance) C4'-P energy: -123.060 bonds (distance) P-C4' energy: -127.466 flat angles C4'-P-C4' energy: -108.189 flat angles P-C4'-P energy: -56.916 tors. eta vs tors. theta energy: -6.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -709.778287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.778287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.778287 (E_RNA) where: Base-Base interactions energy: -312.847 where: short stacking energy: -204.084 Base-Backbone interact. energy: 5.006 local terms energy: -401.937159 where: bonds (distance) C4'-P energy: -101.308 bonds (distance) P-C4' energy: -141.014 flat angles C4'-P-C4' energy: -109.332 flat angles P-C4'-P energy: -68.088 tors. eta vs tors. theta energy: 17.805 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: 1 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2738.101652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.101652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.101652 (E_RNA) where: Base-Base interactions energy: -1843.873 where: short stacking energy: -825.818 Base-Backbone interact. energy: -2.256 local terms energy: -891.973019 where: bonds (distance) C4'-P energy: -171.997 bonds (distance) P-C4' energy: -158.050 flat angles C4'-P-C4' energy: -194.544 flat angles P-C4'-P energy: -124.015 tors. eta vs tors. theta energy: -243.367 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: 2 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2606.555166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.555166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.555166 (E_RNA) where: Base-Base interactions energy: -1803.500 where: short stacking energy: -751.445 Base-Backbone interact. energy: 1.130 local terms energy: -804.185512 where: bonds (distance) C4'-P energy: -153.946 bonds (distance) P-C4' energy: -154.679 flat angles C4'-P-C4' energy: -185.574 flat angles P-C4'-P energy: -111.567 tors. eta vs tors. theta energy: -198.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2416.575452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.575452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.575452 (E_RNA) where: Base-Base interactions energy: -1616.219 where: short stacking energy: -694.733 Base-Backbone interact. energy: -2.715 local terms energy: -797.641918 where: bonds (distance) C4'-P energy: -159.115 bonds (distance) P-C4' energy: -157.263 flat angles C4'-P-C4' energy: -183.544 flat angles P-C4'-P energy: -102.378 tors. eta vs tors. theta energy: -195.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2301.401247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.401247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.401247 (E_RNA) where: Base-Base interactions energy: -1555.285 where: short stacking energy: -674.825 Base-Backbone interact. energy: 5.537 local terms energy: -751.653011 where: bonds (distance) C4'-P energy: -148.613 bonds (distance) P-C4' energy: -157.896 flat angles C4'-P-C4' energy: -167.345 flat angles P-C4'-P energy: -108.796 tors. eta vs tors. theta energy: -169.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2178.411460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.411460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.411460 (E_RNA) where: Base-Base interactions energy: -1447.767 where: short stacking energy: -657.047 Base-Backbone interact. energy: -1.496 local terms energy: -729.148816 where: bonds (distance) C4'-P energy: -133.911 bonds (distance) P-C4' energy: -157.317 flat angles C4'-P-C4' energy: -148.776 flat angles P-C4'-P energy: -115.475 tors. eta vs tors. theta energy: -173.670 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: 6, replica: 5 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2021.433798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.433798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.433798 (E_RNA) where: Base-Base interactions energy: -1339.756 where: short stacking energy: -598.386 Base-Backbone interact. energy: -2.756 local terms energy: -678.922152 where: bonds (distance) C4'-P energy: -146.966 bonds (distance) P-C4' energy: -147.283 flat angles C4'-P-C4' energy: -144.335 flat angles P-C4'-P energy: -86.600 tors. eta vs tors. theta energy: -153.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1684.598859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.598859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.598859 (E_RNA) where: Base-Base interactions energy: -1082.760 where: short stacking energy: -486.476 Base-Backbone interact. energy: -2.250 local terms energy: -599.589265 where: bonds (distance) C4'-P energy: -120.022 bonds (distance) P-C4' energy: -153.957 flat angles C4'-P-C4' energy: -128.377 flat angles P-C4'-P energy: -98.303 tors. eta vs tors. theta energy: -98.930 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: 7 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1112.184264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.184264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.184264 (E_RNA) where: Base-Base interactions energy: -607.154 where: short stacking energy: -336.887 Base-Backbone interact. energy: -1.808 local terms energy: -503.222577 where: bonds (distance) C4'-P energy: -133.446 bonds (distance) P-C4' energy: -141.812 flat angles C4'-P-C4' energy: -130.550 flat angles P-C4'-P energy: -53.997 tors. eta vs tors. theta energy: -43.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -914.039350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.039350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.039350 (E_RNA) where: Base-Base interactions energy: -444.741 where: short stacking energy: -246.145 Base-Backbone interact. energy: 7.998 local terms energy: -477.296810 where: bonds (distance) C4'-P energy: -145.817 bonds (distance) P-C4' energy: -137.293 flat angles C4'-P-C4' energy: -116.138 flat angles P-C4'-P energy: -66.152 tors. eta vs tors. theta energy: -11.897 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: 10 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -693.420098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.420098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.420098 (E_RNA) where: Base-Base interactions energy: -305.691 where: short stacking energy: -189.845 Base-Backbone interact. energy: -0.329 local terms energy: -387.400750 where: bonds (distance) C4'-P energy: -122.607 bonds (distance) P-C4' energy: -124.589 flat angles C4'-P-C4' energy: -104.968 flat angles P-C4'-P energy: -57.949 tors. eta vs tors. theta energy: 22.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2707.421162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.421162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.421162 (E_RNA) where: Base-Base interactions energy: -1822.470 where: short stacking energy: -799.443 Base-Backbone interact. energy: -0.674 local terms energy: -884.276918 where: bonds (distance) C4'-P energy: -156.280 bonds (distance) P-C4' energy: -173.995 flat angles C4'-P-C4' energy: -192.073 flat angles P-C4'-P energy: -127.873 tors. eta vs tors. theta energy: -234.055 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: 332 Temperature: 0.950000 Total energy: -2645.332945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.332945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.332945 (E_RNA) where: Base-Base interactions energy: -1825.813 where: short stacking energy: -761.707 Base-Backbone interact. energy: -5.994 local terms energy: -813.526685 where: bonds (distance) C4'-P energy: -158.170 bonds (distance) P-C4' energy: -158.765 flat angles C4'-P-C4' energy: -174.657 flat angles P-C4'-P energy: -118.336 tors. eta vs tors. theta energy: -203.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2431.796731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.796731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.796731 (E_RNA) where: Base-Base interactions energy: -1662.819 where: short stacking energy: -694.814 Base-Backbone interact. energy: -5.267 local terms energy: -763.710172 where: bonds (distance) C4'-P energy: -158.869 bonds (distance) P-C4' energy: -141.015 flat angles C4'-P-C4' energy: -165.398 flat angles P-C4'-P energy: -103.960 tors. eta vs tors. theta energy: -194.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2292.403031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.403031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.403031 (E_RNA) where: Base-Base interactions energy: -1552.886 where: short stacking energy: -640.765 Base-Backbone interact. energy: 1.049 local terms energy: -740.566230 where: bonds (distance) C4'-P energy: -138.125 bonds (distance) P-C4' energy: -153.756 flat angles C4'-P-C4' energy: -173.952 flat angles P-C4'-P energy: -109.262 tors. eta vs tors. theta energy: -165.472 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: 4 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2159.717593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.717593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.717593 (E_RNA) where: Base-Base interactions energy: -1441.852 where: short stacking energy: -633.180 Base-Backbone interact. energy: -5.074 local terms energy: -712.791741 where: bonds (distance) C4'-P energy: -132.684 bonds (distance) P-C4' energy: -147.633 flat angles C4'-P-C4' energy: -167.371 flat angles P-C4'-P energy: -90.638 tors. eta vs tors. theta energy: -174.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1986.341900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.341900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.341900 (E_RNA) where: Base-Base interactions energy: -1298.994 where: short stacking energy: -562.996 Base-Backbone interact. energy: 1.760 local terms energy: -689.107707 where: bonds (distance) C4'-P energy: -131.151 bonds (distance) P-C4' energy: -150.691 flat angles C4'-P-C4' energy: -166.413 flat angles P-C4'-P energy: -86.109 tors. eta vs tors. theta energy: -154.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1660.387826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.387826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.387826 (E_RNA) where: Base-Base interactions energy: -1032.547 where: short stacking energy: -458.892 Base-Backbone interact. energy: -0.451 local terms energy: -627.389403 where: bonds (distance) C4'-P energy: -152.799 bonds (distance) P-C4' energy: -152.001 flat angles C4'-P-C4' energy: -134.724 flat angles P-C4'-P energy: -77.178 tors. eta vs tors. theta energy: -110.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1082.283287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.283287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.283287 (E_RNA) where: Base-Base interactions energy: -555.249 where: short stacking energy: -290.893 Base-Backbone interact. energy: 1.499 local terms energy: -528.532848 where: bonds (distance) C4'-P energy: -129.854 bonds (distance) P-C4' energy: -159.400 flat angles C4'-P-C4' energy: -115.096 flat angles P-C4'-P energy: -75.445 tors. eta vs tors. theta energy: -48.738 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: 6 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -874.585282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.585282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.585282 (E_RNA) where: Base-Base interactions energy: -384.857 where: short stacking energy: -239.904 Base-Backbone interact. energy: 2.717 local terms energy: -492.445291 where: bonds (distance) C4'-P energy: -130.904 bonds (distance) P-C4' energy: -163.303 flat angles C4'-P-C4' energy: -113.504 flat angles P-C4'-P energy: -80.705 tors. eta vs tors. theta energy: -4.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -690.673784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.673784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.673784 (E_RNA) where: Base-Base interactions energy: -248.270 where: short stacking energy: -180.236 Base-Backbone interact. energy: -0.621 local terms energy: -441.782316 where: bonds (distance) C4'-P energy: -141.102 bonds (distance) P-C4' energy: -134.400 flat angles C4'-P-C4' energy: -124.912 flat angles P-C4'-P energy: -62.815 tors. eta vs tors. theta energy: 21.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2711.591922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.591922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.591922 (E_RNA) where: Base-Base interactions energy: -1809.916 where: short stacking energy: -842.967 Base-Backbone interact. energy: -2.691 local terms energy: -898.984678 where: bonds (distance) C4'-P energy: -170.297 bonds (distance) P-C4' energy: -168.417 flat angles C4'-P-C4' energy: -182.852 flat angles P-C4'-P energy: -133.422 tors. eta vs tors. theta energy: -243.996 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: 2 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2643.820333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.820333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.820333 (E_RNA) where: Base-Base interactions energy: -1842.915 where: short stacking energy: -754.977 Base-Backbone interact. energy: 0.497 local terms energy: -801.402803 where: bonds (distance) C4'-P energy: -158.583 bonds (distance) P-C4' energy: -147.181 flat angles C4'-P-C4' energy: -179.362 flat angles P-C4'-P energy: -113.097 tors. eta vs tors. theta energy: -203.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2450.148492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.148492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.148492 (E_RNA) where: Base-Base interactions energy: -1668.540 where: short stacking energy: -744.498 Base-Backbone interact. energy: -4.374 local terms energy: -777.233870 where: bonds (distance) C4'-P energy: -153.110 bonds (distance) P-C4' energy: -154.490 flat angles C4'-P-C4' energy: -166.708 flat angles P-C4'-P energy: -83.874 tors. eta vs tors. theta energy: -219.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2322.717369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.717369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.717369 (E_RNA) where: Base-Base interactions energy: -1579.880 where: short stacking energy: -668.393 Base-Backbone interact. energy: -2.512 local terms energy: -740.326179 where: bonds (distance) C4'-P energy: -139.978 bonds (distance) P-C4' energy: -144.967 flat angles C4'-P-C4' energy: -183.851 flat angles P-C4'-P energy: -99.732 tors. eta vs tors. theta energy: -171.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2198.570842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.570842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.570842 (E_RNA) where: Base-Base interactions energy: -1445.352 where: short stacking energy: -632.015 Base-Backbone interact. energy: -0.112 local terms energy: -753.106196 where: bonds (distance) C4'-P energy: -159.573 bonds (distance) P-C4' energy: -142.480 flat angles C4'-P-C4' energy: -163.056 flat angles P-C4'-P energy: -108.260 tors. eta vs tors. theta energy: -179.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -2019.994203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.994203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.994203 (E_RNA) where: Base-Base interactions energy: -1360.744 where: short stacking energy: -597.948 Base-Backbone interact. energy: 1.502 local terms energy: -660.751698 where: bonds (distance) C4'-P energy: -107.700 bonds (distance) P-C4' energy: -152.763 flat angles C4'-P-C4' energy: -161.709 flat angles P-C4'-P energy: -90.486 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: 7, replica: 8 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1593.180171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.180171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.180171 (E_RNA) where: Base-Base interactions energy: -974.130 where: short stacking energy: -447.481 Base-Backbone interact. energy: -0.300 local terms energy: -618.750224 where: bonds (distance) C4'-P energy: -140.672 bonds (distance) P-C4' energy: -147.079 flat angles C4'-P-C4' energy: -147.095 flat angles P-C4'-P energy: -102.679 tors. eta vs tors. theta energy: -81.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1206.634530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.634530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.634530 (E_RNA) where: Base-Base interactions energy: -671.325 where: short stacking energy: -342.082 Base-Backbone interact. energy: -0.334 local terms energy: -534.975985 where: bonds (distance) C4'-P energy: -151.339 bonds (distance) P-C4' energy: -144.494 flat angles C4'-P-C4' energy: -123.017 flat angles P-C4'-P energy: -59.721 tors. eta vs tors. theta energy: -56.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -876.765212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.765212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.765212 (E_RNA) where: Base-Base interactions energy: -412.859 where: short stacking energy: -226.983 Base-Backbone interact. energy: 0.073 local terms energy: -463.978436 where: bonds (distance) C4'-P energy: -119.491 bonds (distance) P-C4' energy: -163.058 flat angles C4'-P-C4' energy: -131.841 flat angles P-C4'-P energy: -62.158 tors. eta vs tors. theta energy: 12.569 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: 10 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -734.844946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.844946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.844946 (E_RNA) where: Base-Base interactions energy: -309.038 where: short stacking energy: -202.035 Base-Backbone interact. energy: -4.287 local terms energy: -421.520271 where: bonds (distance) C4'-P energy: -134.894 bonds (distance) P-C4' energy: -119.785 flat angles C4'-P-C4' energy: -120.763 flat angles P-C4'-P energy: -51.839 tors. eta vs tors. theta energy: 5.761 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: 1 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2714.817438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.817438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.817438 (E_RNA) where: Base-Base interactions energy: -1833.740 where: short stacking energy: -840.306 Base-Backbone interact. energy: -2.754 local terms energy: -878.323015 where: bonds (distance) C4'-P energy: -158.659 bonds (distance) P-C4' energy: -159.148 flat angles C4'-P-C4' energy: -181.855 flat angles P-C4'-P energy: -126.447 tors. eta vs tors. theta energy: -252.214 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: 334 Temperature: 0.950000 Total energy: -2646.046365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.046365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.046365 (E_RNA) where: Base-Base interactions energy: -1821.110 where: short stacking energy: -768.011 Base-Backbone interact. energy: -1.359 local terms energy: -823.577918 where: bonds (distance) C4'-P energy: -158.991 bonds (distance) P-C4' energy: -168.449 flat angles C4'-P-C4' energy: -179.418 flat angles P-C4'-P energy: -112.070 tors. eta vs tors. theta energy: -204.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2453.293188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.293188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.293188 (E_RNA) where: Base-Base interactions energy: -1653.954 where: short stacking energy: -732.734 Base-Backbone interact. energy: -0.762 local terms energy: -798.577457 where: bonds (distance) C4'-P energy: -149.684 bonds (distance) P-C4' energy: -154.710 flat angles C4'-P-C4' energy: -169.606 flat angles P-C4'-P energy: -114.758 tors. eta vs tors. theta energy: -209.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2312.827811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.827811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.827811 (E_RNA) where: Base-Base interactions energy: -1565.148 where: short stacking energy: -647.743 Base-Backbone interact. energy: -2.391 local terms energy: -745.288885 where: bonds (distance) C4'-P energy: -156.102 bonds (distance) P-C4' energy: -159.299 flat angles C4'-P-C4' energy: -149.013 flat angles P-C4'-P energy: -103.254 tors. eta vs tors. theta energy: -177.622 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: 4 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2193.101673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.101673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.101673 (E_RNA) where: Base-Base interactions energy: -1467.855 where: short stacking energy: -622.008 Base-Backbone interact. energy: -1.092 local terms energy: -724.154265 where: bonds (distance) C4'-P energy: -124.149 bonds (distance) P-C4' energy: -136.634 flat angles C4'-P-C4' energy: -179.107 flat angles P-C4'-P energy: -115.263 tors. eta vs tors. theta energy: -169.001 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: 5 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1945.412558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.412558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.412558 (E_RNA) where: Base-Base interactions energy: -1270.013 where: short stacking energy: -595.102 Base-Backbone interact. energy: -2.380 local terms energy: -673.019921 where: bonds (distance) C4'-P energy: -139.393 bonds (distance) P-C4' energy: -135.946 flat angles C4'-P-C4' energy: -149.943 flat angles P-C4'-P energy: -99.192 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: 7, replica: 8 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1602.572526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.572526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.572526 (E_RNA) where: Base-Base interactions energy: -1033.710 where: short stacking energy: -455.593 Base-Backbone interact. energy: -0.868 local terms energy: -567.994025 where: bonds (distance) C4'-P energy: -133.928 bonds (distance) P-C4' energy: -135.318 flat angles C4'-P-C4' energy: -127.153 flat angles P-C4'-P energy: -93.953 tors. eta vs tors. theta energy: -77.642 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: 7 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1193.414636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.414636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.414636 (E_RNA) where: Base-Base interactions energy: -698.361 where: short stacking energy: -358.512 Base-Backbone interact. energy: -0.360 local terms energy: -494.693734 where: bonds (distance) C4'-P energy: -113.756 bonds (distance) P-C4' energy: -138.591 flat angles C4'-P-C4' energy: -116.381 flat angles P-C4'-P energy: -86.071 tors. eta vs tors. theta energy: -39.894 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: 6 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -871.533645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.533645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.533645 (E_RNA) where: Base-Base interactions energy: -452.913 where: short stacking energy: -256.080 Base-Backbone interact. energy: -0.990 local terms energy: -417.630748 where: bonds (distance) C4'-P energy: -110.262 bonds (distance) P-C4' energy: -119.254 flat angles C4'-P-C4' energy: -122.320 flat angles P-C4'-P energy: -71.577 tors. eta vs tors. theta energy: 5.783 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: 10 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -703.316536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.316536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.316536 (E_RNA) where: Base-Base interactions energy: -313.610 where: short stacking energy: -206.848 Base-Backbone interact. energy: 2.485 local terms energy: -392.191948 where: bonds (distance) C4'-P energy: -110.872 bonds (distance) P-C4' energy: -136.442 flat angles C4'-P-C4' energy: -118.163 flat angles P-C4'-P energy: -47.629 tors. eta vs tors. theta energy: 20.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2759.775133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.775133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.775133 (E_RNA) where: Base-Base interactions energy: -1837.276 where: short stacking energy: -844.131 Base-Backbone interact. energy: -2.561 local terms energy: -919.937428 where: bonds (distance) C4'-P energy: -176.660 bonds (distance) P-C4' energy: -171.456 flat angles C4'-P-C4' energy: -186.905 flat angles P-C4'-P energy: -127.850 tors. eta vs tors. theta energy: -257.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2628.200180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.200180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.200180 (E_RNA) where: Base-Base interactions energy: -1787.287 where: short stacking energy: -760.394 Base-Backbone interact. energy: -4.322 local terms energy: -836.590738 where: bonds (distance) C4'-P energy: -150.496 bonds (distance) P-C4' energy: -157.823 flat angles C4'-P-C4' energy: -187.157 flat angles P-C4'-P energy: -128.327 tors. eta vs tors. theta energy: -212.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2465.189296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.189296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.189296 (E_RNA) where: Base-Base interactions energy: -1627.872 where: short stacking energy: -751.834 Base-Backbone interact. energy: -0.828 local terms energy: -836.489155 where: bonds (distance) C4'-P energy: -173.205 bonds (distance) P-C4' energy: -161.374 flat angles C4'-P-C4' energy: -165.772 flat angles P-C4'-P energy: -123.327 tors. eta vs tors. theta energy: -212.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2376.119099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.119099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.119099 (E_RNA) where: Base-Base interactions energy: -1659.018 where: short stacking energy: -699.762 Base-Backbone interact. energy: -1.317 local terms energy: -715.783951 where: bonds (distance) C4'-P energy: -134.943 bonds (distance) P-C4' energy: -142.952 flat angles C4'-P-C4' energy: -165.819 flat angles P-C4'-P energy: -108.340 tors. eta vs tors. theta energy: -163.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2214.453087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.453087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.453087 (E_RNA) where: Base-Base interactions energy: -1488.414 where: short stacking energy: -602.204 Base-Backbone interact. energy: -0.234 local terms energy: -725.805375 where: bonds (distance) C4'-P energy: -140.854 bonds (distance) P-C4' energy: -138.868 flat angles C4'-P-C4' energy: -169.182 flat angles P-C4'-P energy: -119.517 tors. eta vs tors. theta energy: -157.384 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: 5 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1981.458854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.458854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.458854 (E_RNA) where: Base-Base interactions energy: -1330.730 where: short stacking energy: -563.592 Base-Backbone interact. energy: 0.139 local terms energy: -650.867194 where: bonds (distance) C4'-P energy: -160.203 bonds (distance) P-C4' energy: -131.199 flat angles C4'-P-C4' energy: -146.449 flat angles P-C4'-P energy: -94.595 tors. eta vs tors. theta energy: -118.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1618.303081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.303081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.303081 (E_RNA) where: Base-Base interactions energy: -1032.682 where: short stacking energy: -487.091 Base-Backbone interact. energy: 0.404 local terms energy: -586.025273 where: bonds (distance) C4'-P energy: -129.286 bonds (distance) P-C4' energy: -145.163 flat angles C4'-P-C4' energy: -139.660 flat angles P-C4'-P energy: -74.966 tors. eta vs tors. theta energy: -96.951 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: 7 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1279.299156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.299156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.299156 (E_RNA) where: Base-Base interactions energy: -731.304 where: short stacking energy: -375.749 Base-Backbone interact. energy: -2.324 local terms energy: -545.670467 where: bonds (distance) C4'-P energy: -131.331 bonds (distance) P-C4' energy: -151.445 flat angles C4'-P-C4' energy: -128.016 flat angles P-C4'-P energy: -88.680 tors. eta vs tors. theta energy: -46.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -826.979920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.979920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.979920 (E_RNA) where: Base-Base interactions energy: -420.207 where: short stacking energy: -244.886 Base-Backbone interact. energy: 2.812 local terms energy: -409.585134 where: bonds (distance) C4'-P energy: -135.238 bonds (distance) P-C4' energy: -122.143 flat angles C4'-P-C4' energy: -125.498 flat angles P-C4'-P energy: -42.032 tors. eta vs tors. theta energy: 15.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -684.741723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.741723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.741723 (E_RNA) where: Base-Base interactions energy: -303.526 where: short stacking energy: -189.326 Base-Backbone interact. energy: 2.750 local terms energy: -383.965942 where: bonds (distance) C4'-P energy: -121.338 bonds (distance) P-C4' energy: -122.036 flat angles C4'-P-C4' energy: -109.748 flat angles P-C4'-P energy: -73.922 tors. eta vs tors. theta energy: 43.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2742.299370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.299370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.299370 (E_RNA) where: Base-Base interactions energy: -1866.123 where: short stacking energy: -831.932 Base-Backbone interact. energy: -3.136 local terms energy: -873.040488 where: bonds (distance) C4'-P energy: -156.793 bonds (distance) P-C4' energy: -167.717 flat angles C4'-P-C4' energy: -189.732 flat angles P-C4'-P energy: -123.312 tors. eta vs tors. theta energy: -235.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2584.135066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.135066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.135066 (E_RNA) where: Base-Base interactions energy: -1775.092 where: short stacking energy: -778.635 Base-Backbone interact. energy: -3.750 local terms energy: -805.293342 where: bonds (distance) C4'-P energy: -152.186 bonds (distance) P-C4' energy: -155.223 flat angles C4'-P-C4' energy: -172.144 flat angles P-C4'-P energy: -116.946 tors. eta vs tors. theta energy: -208.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2431.889023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.889023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.889023 (E_RNA) where: Base-Base interactions energy: -1677.929 where: short stacking energy: -741.936 Base-Backbone interact. energy: -4.884 local terms energy: -749.075756 where: bonds (distance) C4'-P energy: -157.461 bonds (distance) P-C4' energy: -149.067 flat angles C4'-P-C4' energy: -157.689 flat angles P-C4'-P energy: -86.479 tors. eta vs tors. theta energy: -198.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2363.396276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.396276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.396276 (E_RNA) where: Base-Base interactions energy: -1610.762 where: short stacking energy: -674.174 Base-Backbone interact. energy: -1.256 local terms energy: -751.378142 where: bonds (distance) C4'-P energy: -138.511 bonds (distance) P-C4' energy: -152.381 flat angles C4'-P-C4' energy: -166.843 flat angles P-C4'-P energy: -115.544 tors. eta vs tors. theta energy: -178.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2238.672419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.672419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.672419 (E_RNA) where: Base-Base interactions energy: -1502.965 where: short stacking energy: -638.623 Base-Backbone interact. energy: 2.964 local terms energy: -738.671863 where: bonds (distance) C4'-P energy: -138.438 bonds (distance) P-C4' energy: -151.924 flat angles C4'-P-C4' energy: -165.279 flat angles P-C4'-P energy: -104.276 tors. eta vs tors. theta energy: -178.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1994.395904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.395904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.395904 (E_RNA) where: Base-Base interactions energy: -1342.821 where: short stacking energy: -569.485 Base-Backbone interact. energy: 4.797 local terms energy: -656.372040 where: bonds (distance) C4'-P energy: -123.030 bonds (distance) P-C4' energy: -137.533 flat angles C4'-P-C4' energy: -156.444 flat angles P-C4'-P energy: -103.466 tors. eta vs tors. theta energy: -135.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1613.358525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.358525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.358525 (E_RNA) where: Base-Base interactions energy: -999.916 where: short stacking energy: -435.943 Base-Backbone interact. energy: -0.995 local terms energy: -612.447444 where: bonds (distance) C4'-P energy: -138.563 bonds (distance) P-C4' energy: -144.652 flat angles C4'-P-C4' energy: -157.831 flat angles P-C4'-P energy: -75.141 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: 8, replica: 7 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1244.440715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.440715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.440715 (E_RNA) where: Base-Base interactions energy: -698.167 where: short stacking energy: -336.204 Base-Backbone interact. energy: -0.605 local terms energy: -545.668072 where: bonds (distance) C4'-P energy: -128.954 bonds (distance) P-C4' energy: -142.758 flat angles C4'-P-C4' energy: -131.207 flat angles P-C4'-P energy: -88.664 tors. eta vs tors. theta energy: -54.084 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: 6 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -804.577245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.577245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.577245 (E_RNA) where: Base-Base interactions energy: -357.216 where: short stacking energy: -207.486 Base-Backbone interact. energy: 8.888 local terms energy: -456.249279 where: bonds (distance) C4'-P energy: -135.725 bonds (distance) P-C4' energy: -132.833 flat angles C4'-P-C4' energy: -128.807 flat angles P-C4'-P energy: -66.097 tors. eta vs tors. theta energy: 7.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -610.532267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.532267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.532267 (E_RNA) where: Base-Base interactions energy: -206.590 where: short stacking energy: -181.978 Base-Backbone interact. energy: 5.599 local terms energy: -409.542016 where: bonds (distance) C4'-P energy: -133.854 bonds (distance) P-C4' energy: -136.138 flat angles C4'-P-C4' energy: -124.578 flat angles P-C4'-P energy: -65.271 tors. eta vs tors. theta energy: 50.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2690.159556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.159556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.159556 (E_RNA) where: Base-Base interactions energy: -1803.108 where: short stacking energy: -821.302 Base-Backbone interact. energy: -3.914 local terms energy: -883.138145 where: bonds (distance) C4'-P energy: -167.987 bonds (distance) P-C4' energy: -153.831 flat angles C4'-P-C4' energy: -190.724 flat angles P-C4'-P energy: -126.725 tors. eta vs tors. theta energy: -243.871 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: 2 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2566.715646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.715646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.715646 (E_RNA) where: Base-Base interactions energy: -1765.791 where: short stacking energy: -738.323 Base-Backbone interact. energy: -1.910 local terms energy: -799.014863 where: bonds (distance) C4'-P energy: -151.726 bonds (distance) P-C4' energy: -165.716 flat angles C4'-P-C4' energy: -166.030 flat angles P-C4'-P energy: -121.157 tors. eta vs tors. theta energy: -194.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2462.262817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.262817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.262817 (E_RNA) where: Base-Base interactions energy: -1654.772 where: short stacking energy: -723.986 Base-Backbone interact. energy: 1.597 local terms energy: -809.088329 where: bonds (distance) C4'-P energy: -167.231 bonds (distance) P-C4' energy: -160.973 flat angles C4'-P-C4' energy: -169.983 flat angles P-C4'-P energy: -108.508 tors. eta vs tors. theta energy: -202.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2323.495716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.495716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.495716 (E_RNA) where: Base-Base interactions energy: -1598.139 where: short stacking energy: -677.645 Base-Backbone interact. energy: 0.538 local terms energy: -725.894976 where: bonds (distance) C4'-P energy: -126.104 bonds (distance) P-C4' energy: -145.187 flat angles C4'-P-C4' energy: -171.115 flat angles P-C4'-P energy: -100.167 tors. eta vs tors. theta energy: -183.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2185.196194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.196194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.196194 (E_RNA) where: Base-Base interactions energy: -1432.078 where: short stacking energy: -647.034 Base-Backbone interact. energy: -2.107 local terms energy: -751.011615 where: bonds (distance) C4'-P energy: -165.876 bonds (distance) P-C4' energy: -158.628 flat angles C4'-P-C4' energy: -154.175 flat angles P-C4'-P energy: -96.399 tors. eta vs tors. theta energy: -175.933 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: 5 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1990.582572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.582572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.582572 (E_RNA) where: Base-Base interactions energy: -1340.464 where: short stacking energy: -569.845 Base-Backbone interact. energy: -2.823 local terms energy: -647.295999 where: bonds (distance) C4'-P energy: -144.959 bonds (distance) P-C4' energy: -133.937 flat angles C4'-P-C4' energy: -159.635 flat angles P-C4'-P energy: -86.733 tors. eta vs tors. theta energy: -122.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1667.228868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.228868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.228868 (E_RNA) where: Base-Base interactions energy: -1064.993 where: short stacking energy: -494.775 Base-Backbone interact. energy: 0.587 local terms energy: -602.821945 where: bonds (distance) C4'-P energy: -126.073 bonds (distance) P-C4' energy: -148.369 flat angles C4'-P-C4' energy: -140.194 flat angles P-C4'-P energy: -91.349 tors. eta vs tors. theta energy: -96.836 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: 337 Temperature: 1.250000 Total energy: -1307.866793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.866793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.866793 (E_RNA) where: Base-Base interactions energy: -796.380 where: short stacking energy: -398.638 Base-Backbone interact. energy: 2.546 local terms energy: -514.032601 where: bonds (distance) C4'-P energy: -119.168 bonds (distance) P-C4' energy: -128.515 flat angles C4'-P-C4' energy: -134.008 flat angles P-C4'-P energy: -75.419 tors. eta vs tors. theta energy: -56.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -800.805080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.805080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.805080 (E_RNA) where: Base-Base interactions energy: -378.303 where: short stacking energy: -212.250 Base-Backbone interact. energy: 4.565 local terms energy: -427.066863 where: bonds (distance) C4'-P energy: -126.212 bonds (distance) P-C4' energy: -135.827 flat angles C4'-P-C4' energy: -115.923 flat angles P-C4'-P energy: -67.947 tors. eta vs tors. theta energy: 18.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -631.087103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.087103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.087103 (E_RNA) where: Base-Base interactions energy: -252.995 where: short stacking energy: -194.174 Base-Backbone interact. energy: 5.181 local terms energy: -383.273131 where: bonds (distance) C4'-P energy: -132.665 bonds (distance) P-C4' energy: -139.063 flat angles C4'-P-C4' energy: -98.477 flat angles P-C4'-P energy: -64.798 tors. eta vs tors. theta energy: 51.730 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: 1, replica: 1 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2717.701765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.701765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.701765 (E_RNA) where: Base-Base interactions energy: -1839.655 where: short stacking energy: -800.229 Base-Backbone interact. energy: -5.378 local terms energy: -872.668853 where: bonds (distance) C4'-P energy: -147.087 bonds (distance) P-C4' energy: -168.751 flat angles C4'-P-C4' energy: -192.681 flat angles P-C4'-P energy: -127.488 tors. eta vs tors. theta energy: -236.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2593.669686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.669686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.669686 (E_RNA) where: Base-Base interactions energy: -1765.097 where: short stacking energy: -766.607 Base-Backbone interact. energy: -3.561 local terms energy: -825.011468 where: bonds (distance) C4'-P energy: -159.723 bonds (distance) P-C4' energy: -159.895 flat angles C4'-P-C4' energy: -179.345 flat angles P-C4'-P energy: -117.001 tors. eta vs tors. theta energy: -209.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2434.736809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.736809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.736809 (E_RNA) where: Base-Base interactions energy: -1649.058 where: short stacking energy: -732.133 Base-Backbone interact. energy: 0.021 local terms energy: -785.699099 where: bonds (distance) C4'-P energy: -159.578 bonds (distance) P-C4' energy: -160.523 flat angles C4'-P-C4' energy: -164.849 flat angles P-C4'-P energy: -102.361 tors. eta vs tors. theta energy: -198.389 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: 9 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2303.459602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.459602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.459602 (E_RNA) where: Base-Base interactions energy: -1560.826 where: short stacking energy: -660.013 Base-Backbone interact. energy: -1.834 local terms energy: -740.799604 where: bonds (distance) C4'-P energy: -155.034 bonds (distance) P-C4' energy: -136.980 flat angles C4'-P-C4' energy: -171.512 flat angles P-C4'-P energy: -109.890 tors. eta vs tors. theta energy: -167.383 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: 5, replica: 4 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2226.738712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.738712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.738712 (E_RNA) where: Base-Base interactions energy: -1511.737 where: short stacking energy: -634.334 Base-Backbone interact. energy: 1.075 local terms energy: -716.077365 where: bonds (distance) C4'-P energy: -144.356 bonds (distance) P-C4' energy: -159.972 flat angles C4'-P-C4' energy: -158.207 flat angles P-C4'-P energy: -109.653 tors. eta vs tors. theta energy: -143.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2048.323226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.323226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.323226 (E_RNA) where: Base-Base interactions energy: -1327.727 where: short stacking energy: -589.751 Base-Backbone interact. energy: -2.444 local terms energy: -718.152444 where: bonds (distance) C4'-P energy: -146.645 bonds (distance) P-C4' energy: -151.503 flat angles C4'-P-C4' energy: -156.465 flat angles P-C4'-P energy: -113.978 tors. eta vs tors. theta energy: -149.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1686.708337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.708337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.708337 (E_RNA) where: Base-Base interactions energy: -1058.756 where: short stacking energy: -466.192 Base-Backbone interact. energy: -4.223 local terms energy: -623.729296 where: bonds (distance) C4'-P energy: -133.289 bonds (distance) P-C4' energy: -138.279 flat angles C4'-P-C4' energy: -161.447 flat angles P-C4'-P energy: -85.016 tors. eta vs tors. theta energy: -105.699 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: 7 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1297.078121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.078121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.078121 (E_RNA) where: Base-Base interactions energy: -750.491 where: short stacking energy: -390.559 Base-Backbone interact. energy: -0.875 local terms energy: -545.712010 where: bonds (distance) C4'-P energy: -107.616 bonds (distance) P-C4' energy: -144.041 flat angles C4'-P-C4' energy: -120.119 flat angles P-C4'-P energy: -92.996 tors. eta vs tors. theta energy: -80.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -847.694093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.694093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.694093 (E_RNA) where: Base-Base interactions energy: -392.892 where: short stacking energy: -260.496 Base-Backbone interact. energy: 4.236 local terms energy: -459.038668 where: bonds (distance) C4'-P energy: -141.341 bonds (distance) P-C4' energy: -153.227 flat angles C4'-P-C4' energy: -108.219 flat angles P-C4'-P energy: -68.451 tors. eta vs tors. theta energy: 12.200 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: 10 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -596.634181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.634181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.634181 (E_RNA) where: Base-Base interactions energy: -170.987 where: short stacking energy: -148.065 Base-Backbone interact. energy: 0.741 local terms energy: -426.388440 where: bonds (distance) C4'-P energy: -140.509 bonds (distance) P-C4' energy: -129.465 flat angles C4'-P-C4' energy: -116.542 flat angles P-C4'-P energy: -70.837 tors. eta vs tors. theta energy: 30.965 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: 1, replica: 1 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2714.976889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.976889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.976889 (E_RNA) where: Base-Base interactions energy: -1832.457 where: short stacking energy: -813.622 Base-Backbone interact. energy: -3.072 local terms energy: -879.447915 where: bonds (distance) C4'-P energy: -165.057 bonds (distance) P-C4' energy: -162.551 flat angles C4'-P-C4' energy: -169.446 flat angles P-C4'-P energy: -133.209 tors. eta vs tors. theta energy: -249.185 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: 2 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2600.889842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.889842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.889842 (E_RNA) where: Base-Base interactions energy: -1782.940 where: short stacking energy: -754.652 Base-Backbone interact. energy: -2.944 local terms energy: -815.006311 where: bonds (distance) C4'-P energy: -160.853 bonds (distance) P-C4' energy: -169.801 flat angles C4'-P-C4' energy: -177.423 flat angles P-C4'-P energy: -109.769 tors. eta vs tors. theta energy: -197.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2451.247061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.247061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.247061 (E_RNA) where: Base-Base interactions energy: -1659.264 where: short stacking energy: -737.353 Base-Backbone interact. energy: -2.062 local terms energy: -789.920254 where: bonds (distance) C4'-P energy: -149.358 bonds (distance) P-C4' energy: -155.154 flat angles C4'-P-C4' energy: -163.082 flat angles P-C4'-P energy: -122.521 tors. eta vs tors. theta energy: -199.805 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: 9 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2298.406665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.406665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.406665 (E_RNA) where: Base-Base interactions energy: -1575.602 where: short stacking energy: -693.612 Base-Backbone interact. energy: 4.939 local terms energy: -727.743300 where: bonds (distance) C4'-P energy: -137.658 bonds (distance) P-C4' energy: -142.480 flat angles C4'-P-C4' energy: -170.123 flat angles P-C4'-P energy: -102.176 tors. eta vs tors. theta energy: -175.306 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: 339 Temperature: 1.100000 Total energy: -2232.563237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.563237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.563237 (E_RNA) where: Base-Base interactions energy: -1518.198 where: short stacking energy: -631.368 Base-Backbone interact. energy: -6.163 local terms energy: -708.202380 where: bonds (distance) C4'-P energy: -141.460 bonds (distance) P-C4' energy: -140.500 flat angles C4'-P-C4' energy: -150.675 flat angles P-C4'-P energy: -106.709 tors. eta vs tors. theta energy: -168.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2032.989926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.989926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.989926 (E_RNA) where: Base-Base interactions energy: -1364.483 where: short stacking energy: -563.113 Base-Backbone interact. energy: -4.786 local terms energy: -663.721064 where: bonds (distance) C4'-P energy: -109.724 bonds (distance) P-C4' energy: -154.640 flat angles C4'-P-C4' energy: -161.516 flat angles P-C4'-P energy: -99.151 tors. eta vs tors. theta energy: -138.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1608.529102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.529102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.529102 (E_RNA) where: Base-Base interactions energy: -1018.516 where: short stacking energy: -483.789 Base-Backbone interact. energy: 5.902 local terms energy: -595.914697 where: bonds (distance) C4'-P energy: -124.667 bonds (distance) P-C4' energy: -145.479 flat angles C4'-P-C4' energy: -146.581 flat angles P-C4'-P energy: -92.009 tors. eta vs tors. theta energy: -87.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1319.452705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.452705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.452705 (E_RNA) where: Base-Base interactions energy: -789.283 where: short stacking energy: -380.521 Base-Backbone interact. energy: 6.858 local terms energy: -537.028295 where: bonds (distance) C4'-P energy: -129.693 bonds (distance) P-C4' energy: -134.159 flat angles C4'-P-C4' energy: -116.502 flat angles P-C4'-P energy: -95.861 tors. eta vs tors. theta energy: -60.814 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: 6 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -865.578843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.578843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.578843 (E_RNA) where: Base-Base interactions energy: -433.740 where: short stacking energy: -253.002 Base-Backbone interact. energy: 5.267 local terms energy: -437.106194 where: bonds (distance) C4'-P energy: -122.021 bonds (distance) P-C4' energy: -128.792 flat angles C4'-P-C4' energy: -103.462 flat angles P-C4'-P energy: -81.837 tors. eta vs tors. theta energy: -0.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -623.779134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.779134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.779134 (E_RNA) where: Base-Base interactions energy: -255.605 where: short stacking energy: -198.167 Base-Backbone interact. energy: 2.594 local terms energy: -370.768077 where: bonds (distance) C4'-P energy: -124.375 bonds (distance) P-C4' energy: -131.471 flat angles C4'-P-C4' energy: -106.011 flat angles P-C4'-P energy: -59.778 tors. eta vs tors. theta energy: 50.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2734.254072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.254072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.254072 (E_RNA) where: Base-Base interactions energy: -1870.075 where: short stacking energy: -845.995 Base-Backbone interact. energy: -3.503 local terms energy: -860.675761 where: bonds (distance) C4'-P energy: -161.906 bonds (distance) P-C4' energy: -148.879 flat angles C4'-P-C4' energy: -184.992 flat angles P-C4'-P energy: -117.106 tors. eta vs tors. theta energy: -247.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2580.245009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.245009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.245009 (E_RNA) where: Base-Base interactions energy: -1761.470 where: short stacking energy: -772.827 Base-Backbone interact. energy: -3.404 local terms energy: -815.370652 where: bonds (distance) C4'-P energy: -141.214 bonds (distance) P-C4' energy: -169.292 flat angles C4'-P-C4' energy: -179.353 flat angles P-C4'-P energy: -123.434 tors. eta vs tors. theta energy: -202.077 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: 3 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2459.175566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.175566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.175566 (E_RNA) where: Base-Base interactions energy: -1657.030 where: short stacking energy: -765.453 Base-Backbone interact. energy: -3.335 local terms energy: -798.810281 where: bonds (distance) C4'-P energy: -153.451 bonds (distance) P-C4' energy: -147.480 flat angles C4'-P-C4' energy: -168.185 flat angles P-C4'-P energy: -131.456 tors. eta vs tors. theta energy: -198.239 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: 9 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2311.090911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.090911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.090911 (E_RNA) where: Base-Base interactions energy: -1559.587 where: short stacking energy: -655.355 Base-Backbone interact. energy: -3.116 local terms energy: -748.387701 where: bonds (distance) C4'-P energy: -162.788 bonds (distance) P-C4' energy: -144.362 flat angles C4'-P-C4' energy: -160.745 flat angles P-C4'-P energy: -102.721 tors. eta vs tors. theta energy: -177.771 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: 340 Temperature: 1.100000 Total energy: -2234.771615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.771615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.771615 (E_RNA) where: Base-Base interactions energy: -1488.570 where: short stacking energy: -649.442 Base-Backbone interact. energy: -2.287 local terms energy: -743.914142 where: bonds (distance) C4'-P energy: -146.563 bonds (distance) P-C4' energy: -159.623 flat angles C4'-P-C4' energy: -158.407 flat angles P-C4'-P energy: -102.587 tors. eta vs tors. theta energy: -176.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1992.376479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.376479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.376479 (E_RNA) where: Base-Base interactions energy: -1313.561 where: short stacking energy: -589.200 Base-Backbone interact. energy: -0.647 local terms energy: -678.168761 where: bonds (distance) C4'-P energy: -138.904 bonds (distance) P-C4' energy: -153.292 flat angles C4'-P-C4' energy: -141.086 flat angles P-C4'-P energy: -88.421 tors. eta vs tors. theta energy: -156.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1610.542523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.542523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.542523 (E_RNA) where: Base-Base interactions energy: -1021.567 where: short stacking energy: -461.619 Base-Backbone interact. energy: 3.314 local terms energy: -592.289556 where: bonds (distance) C4'-P energy: -127.513 bonds (distance) P-C4' energy: -145.116 flat angles C4'-P-C4' energy: -151.992 flat angles P-C4'-P energy: -91.606 tors. eta vs tors. theta energy: -76.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1329.567678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.567678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.567678 (E_RNA) where: Base-Base interactions energy: -741.003 where: short stacking energy: -375.656 Base-Backbone interact. energy: -1.070 local terms energy: -587.494947 where: bonds (distance) C4'-P energy: -132.762 bonds (distance) P-C4' energy: -144.184 flat angles C4'-P-C4' energy: -162.420 flat angles P-C4'-P energy: -84.348 tors. eta vs tors. theta energy: -63.780 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: 6 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -835.162569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.162569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.162569 (E_RNA) where: Base-Base interactions energy: -391.634 where: short stacking energy: -224.772 Base-Backbone interact. energy: 2.627 local terms energy: -446.155727 where: bonds (distance) C4'-P energy: -123.380 bonds (distance) P-C4' energy: -138.290 flat angles C4'-P-C4' energy: -125.314 flat angles P-C4'-P energy: -71.606 tors. eta vs tors. theta energy: 12.435 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: 10 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -644.510097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.510097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.510097 (E_RNA) where: Base-Base interactions energy: -245.679 where: short stacking energy: -162.696 Base-Backbone interact. energy: 5.254 local terms energy: -404.085500 where: bonds (distance) C4'-P energy: -128.470 bonds (distance) P-C4' energy: -137.649 flat angles C4'-P-C4' energy: -96.014 flat angles P-C4'-P energy: -69.278 tors. eta vs tors. theta energy: 27.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2728.456161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.456161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.456161 (E_RNA) where: Base-Base interactions energy: -1867.384 where: short stacking energy: -829.077 Base-Backbone interact. energy: -4.170 local terms energy: -856.902891 where: bonds (distance) C4'-P energy: -148.226 bonds (distance) P-C4' energy: -173.248 flat angles C4'-P-C4' energy: -180.053 flat angles P-C4'-P energy: -116.180 tors. eta vs tors. theta energy: -239.196 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: 2, replica: 2 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2556.229010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.229010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.229010 (E_RNA) where: Base-Base interactions energy: -1783.532 where: short stacking energy: -792.703 Base-Backbone interact. energy: -1.411 local terms energy: -771.285664 where: bonds (distance) C4'-P energy: -128.558 bonds (distance) P-C4' energy: -147.696 flat angles C4'-P-C4' energy: -181.668 flat angles P-C4'-P energy: -114.923 tors. eta vs tors. theta energy: -198.440 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: 3, replica: 3 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2501.238439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.238439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.238439 (E_RNA) where: Base-Base interactions energy: -1702.209 where: short stacking energy: -782.659 Base-Backbone interact. energy: -4.257 local terms energy: -794.772532 where: bonds (distance) C4'-P energy: -143.876 bonds (distance) P-C4' energy: -160.105 flat angles C4'-P-C4' energy: -166.069 flat angles P-C4'-P energy: -95.869 tors. eta vs tors. theta energy: -228.854 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: 9 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2334.408467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.408467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.408467 (E_RNA) where: Base-Base interactions energy: -1547.830 where: short stacking energy: -698.071 Base-Backbone interact. energy: -1.917 local terms energy: -784.661143 where: bonds (distance) C4'-P energy: -158.520 bonds (distance) P-C4' energy: -160.502 flat angles C4'-P-C4' energy: -159.907 flat angles P-C4'-P energy: -113.206 tors. eta vs tors. theta energy: -192.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2259.376416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.376416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.376416 (E_RNA) where: Base-Base interactions energy: -1535.692 where: short stacking energy: -665.924 Base-Backbone interact. energy: -1.583 local terms energy: -722.101243 where: bonds (distance) C4'-P energy: -133.183 bonds (distance) P-C4' energy: -141.095 flat angles C4'-P-C4' energy: -167.218 flat angles P-C4'-P energy: -105.748 tors. eta vs tors. theta energy: -174.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1952.729418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.729418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.729418 (E_RNA) where: Base-Base interactions energy: -1260.762 where: short stacking energy: -578.779 Base-Backbone interact. energy: 0.273 local terms energy: -692.239732 where: bonds (distance) C4'-P energy: -146.405 bonds (distance) P-C4' energy: -151.308 flat angles C4'-P-C4' energy: -161.627 flat angles P-C4'-P energy: -94.945 tors. eta vs tors. theta energy: -137.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1623.208170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.208170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.208170 (E_RNA) where: Base-Base interactions energy: -1024.827 where: short stacking energy: -470.992 Base-Backbone interact. energy: 3.790 local terms energy: -602.170816 where: bonds (distance) C4'-P energy: -125.450 bonds (distance) P-C4' energy: -146.697 flat angles C4'-P-C4' energy: -156.210 flat angles P-C4'-P energy: -89.860 tors. eta vs tors. theta energy: -83.954 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: 7 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1344.254846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.254846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.254846 (E_RNA) where: Base-Base interactions energy: -800.713 where: short stacking energy: -366.284 Base-Backbone interact. energy: -0.608 local terms energy: -542.934268 where: bonds (distance) C4'-P energy: -139.893 bonds (distance) P-C4' energy: -134.099 flat angles C4'-P-C4' energy: -133.379 flat angles P-C4'-P energy: -74.464 tors. eta vs tors. theta energy: -61.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -855.482460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.482460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.482460 (E_RNA) where: Base-Base interactions energy: -442.800 where: short stacking energy: -265.264 Base-Backbone interact. energy: -0.760 local terms energy: -411.921641 where: bonds (distance) C4'-P energy: -121.036 bonds (distance) P-C4' energy: -133.944 flat angles C4'-P-C4' energy: -110.818 flat angles P-C4'-P energy: -45.758 tors. eta vs tors. theta energy: -0.366 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: 10 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -672.506611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.506611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.506611 (E_RNA) where: Base-Base interactions energy: -276.103 where: short stacking energy: -213.549 Base-Backbone interact. energy: 0.909 local terms energy: -397.312823 where: bonds (distance) C4'-P energy: -107.334 bonds (distance) P-C4' energy: -140.591 flat angles C4'-P-C4' energy: -112.041 flat angles P-C4'-P energy: -64.856 tors. eta vs tors. theta energy: 27.509 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: 1 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2708.353129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.353129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.353129 (E_RNA) where: Base-Base interactions energy: -1833.385 where: short stacking energy: -837.554 Base-Backbone interact. energy: -1.529 local terms energy: -873.439272 where: bonds (distance) C4'-P energy: -167.982 bonds (distance) P-C4' energy: -159.747 flat angles C4'-P-C4' energy: -191.174 flat angles P-C4'-P energy: -124.422 tors. eta vs tors. theta energy: -230.114 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: 342 Temperature: 0.950000 Total energy: -2582.716864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.716864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.716864 (E_RNA) where: Base-Base interactions energy: -1743.871 where: short stacking energy: -762.033 Base-Backbone interact. energy: -5.426 local terms energy: -833.419624 where: bonds (distance) C4'-P energy: -169.116 bonds (distance) P-C4' energy: -170.695 flat angles C4'-P-C4' energy: -187.700 flat angles P-C4'-P energy: -115.914 tors. eta vs tors. theta energy: -189.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2458.807770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.807770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.807770 (E_RNA) where: Base-Base interactions energy: -1672.118 where: short stacking energy: -731.486 Base-Backbone interact. energy: -4.686 local terms energy: -782.003597 where: bonds (distance) C4'-P energy: -160.185 bonds (distance) P-C4' energy: -142.047 flat angles C4'-P-C4' energy: -169.703 flat angles P-C4'-P energy: -111.067 tors. eta vs tors. theta energy: -199.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2276.359861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.359861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.359861 (E_RNA) where: Base-Base interactions energy: -1491.932 where: short stacking energy: -658.203 Base-Backbone interact. energy: -1.627 local terms energy: -782.800920 where: bonds (distance) C4'-P energy: -153.732 bonds (distance) P-C4' energy: -169.557 flat angles C4'-P-C4' energy: -168.999 flat angles P-C4'-P energy: -124.202 tors. eta vs tors. theta energy: -166.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2283.797285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.797285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.797285 (E_RNA) where: Base-Base interactions energy: -1521.068 where: short stacking energy: -668.561 Base-Backbone interact. energy: 2.280 local terms energy: -765.009329 where: bonds (distance) C4'-P energy: -149.443 bonds (distance) P-C4' energy: -159.787 flat angles C4'-P-C4' energy: -166.443 flat angles P-C4'-P energy: -107.199 tors. eta vs tors. theta energy: -182.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1955.961009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.961009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.961009 (E_RNA) where: Base-Base interactions energy: -1286.500 where: short stacking energy: -566.458 Base-Backbone interact. energy: -1.609 local terms energy: -667.851637 where: bonds (distance) C4'-P energy: -134.102 bonds (distance) P-C4' energy: -133.774 flat angles C4'-P-C4' energy: -155.708 flat angles P-C4'-P energy: -103.859 tors. eta vs tors. theta energy: -140.408 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: 8 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1571.812072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.812072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.812072 (E_RNA) where: Base-Base interactions energy: -934.179 where: short stacking energy: -437.924 Base-Backbone interact. energy: -1.319 local terms energy: -636.314610 where: bonds (distance) C4'-P energy: -163.432 bonds (distance) P-C4' energy: -136.113 flat angles C4'-P-C4' energy: -144.219 flat angles P-C4'-P energy: -99.332 tors. eta vs tors. theta energy: -93.218 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: 7 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1347.647198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.647198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.647198 (E_RNA) where: Base-Base interactions energy: -815.536 where: short stacking energy: -380.239 Base-Backbone interact. energy: 1.577 local terms energy: -533.688535 where: bonds (distance) C4'-P energy: -125.587 bonds (distance) P-C4' energy: -138.752 flat angles C4'-P-C4' energy: -138.961 flat angles P-C4'-P energy: -85.008 tors. eta vs tors. theta energy: -45.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -859.771741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.771741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.771741 (E_RNA) where: Base-Base interactions energy: -416.188 where: short stacking energy: -214.644 Base-Backbone interact. energy: -1.499 local terms energy: -442.084116 where: bonds (distance) C4'-P energy: -143.955 bonds (distance) P-C4' energy: -132.617 flat angles C4'-P-C4' energy: -109.759 flat angles P-C4'-P energy: -70.005 tors. eta vs tors. theta energy: 14.252 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: 10, replica: 10 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -671.931456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.931456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.931456 (E_RNA) where: Base-Base interactions energy: -277.177 where: short stacking energy: -218.716 Base-Backbone interact. energy: -2.071 local terms energy: -392.684037 where: bonds (distance) C4'-P energy: -135.877 bonds (distance) P-C4' energy: -126.055 flat angles C4'-P-C4' energy: -116.716 flat angles P-C4'-P energy: -44.172 tors. eta vs tors. theta energy: 30.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2701.436791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.436791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.436791 (E_RNA) where: Base-Base interactions energy: -1816.739 where: short stacking energy: -819.595 Base-Backbone interact. energy: 0.211 local terms energy: -884.909044 where: bonds (distance) C4'-P energy: -154.288 bonds (distance) P-C4' energy: -171.583 flat angles C4'-P-C4' energy: -188.763 flat angles P-C4'-P energy: -128.125 tors. eta vs tors. theta energy: -242.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2618.069075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.069075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.069075 (E_RNA) where: Base-Base interactions energy: -1796.908 where: short stacking energy: -801.521 Base-Backbone interact. energy: -3.848 local terms energy: -817.312719 where: bonds (distance) C4'-P energy: -157.484 bonds (distance) P-C4' energy: -143.232 flat angles C4'-P-C4' energy: -180.486 flat angles P-C4'-P energy: -122.432 tors. eta vs tors. theta energy: -213.679 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: 3, replica: 3 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2494.823992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.823992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.823992 (E_RNA) where: Base-Base interactions energy: -1684.992 where: short stacking energy: -764.647 Base-Backbone interact. energy: -0.350 local terms energy: -809.482633 where: bonds (distance) C4'-P energy: -149.614 bonds (distance) P-C4' energy: -166.793 flat angles C4'-P-C4' energy: -178.230 flat angles P-C4'-P energy: -99.633 tors. eta vs tors. theta energy: -215.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2254.864399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.864399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.864399 (E_RNA) where: Base-Base interactions energy: -1534.841 where: short stacking energy: -660.151 Base-Backbone interact. energy: -3.222 local terms energy: -716.801845 where: bonds (distance) C4'-P energy: -129.739 bonds (distance) P-C4' energy: -170.313 flat angles C4'-P-C4' energy: -141.057 flat angles P-C4'-P energy: -95.517 tors. eta vs tors. theta energy: -180.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2251.268842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.268842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.268842 (E_RNA) where: Base-Base interactions energy: -1507.565 where: short stacking energy: -627.997 Base-Backbone interact. energy: -3.925 local terms energy: -739.779192 where: bonds (distance) C4'-P energy: -158.119 bonds (distance) P-C4' energy: -148.399 flat angles C4'-P-C4' energy: -162.316 flat angles P-C4'-P energy: -112.246 tors. eta vs tors. theta energy: -158.700 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: 343 Temperature: 1.150000 Total energy: -1967.849032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.849032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.849032 (E_RNA) where: Base-Base interactions energy: -1291.618 where: short stacking energy: -585.186 Base-Backbone interact. energy: -5.526 local terms energy: -670.705220 where: bonds (distance) C4'-P energy: -138.370 bonds (distance) P-C4' energy: -143.384 flat angles C4'-P-C4' energy: -160.211 flat angles P-C4'-P energy: -98.116 tors. eta vs tors. theta energy: -130.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1579.894355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.894355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.894355 (E_RNA) where: Base-Base interactions energy: -1052.129 where: short stacking energy: -478.026 Base-Backbone interact. energy: 2.382 local terms energy: -530.147035 where: bonds (distance) C4'-P energy: -120.582 bonds (distance) P-C4' energy: -132.526 flat angles C4'-P-C4' energy: -124.583 flat angles P-C4'-P energy: -60.716 tors. eta vs tors. theta energy: -91.739 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: 7 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1265.967857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.967857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.967857 (E_RNA) where: Base-Base interactions energy: -722.908 where: short stacking energy: -372.122 Base-Backbone interact. energy: -2.221 local terms energy: -540.838832 where: bonds (distance) C4'-P energy: -122.609 bonds (distance) P-C4' energy: -146.052 flat angles C4'-P-C4' energy: -129.799 flat angles P-C4'-P energy: -83.149 tors. eta vs tors. theta energy: -59.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -828.364209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.364209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.364209 (E_RNA) where: Base-Base interactions energy: -351.313 where: short stacking energy: -224.261 Base-Backbone interact. energy: 0.869 local terms energy: -477.920670 where: bonds (distance) C4'-P energy: -131.070 bonds (distance) P-C4' energy: -153.881 flat angles C4'-P-C4' energy: -125.526 flat angles P-C4'-P energy: -77.886 tors. eta vs tors. theta energy: 10.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -682.548740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.548740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.548740 (E_RNA) where: Base-Base interactions energy: -268.337 where: short stacking energy: -187.407 Base-Backbone interact. energy: 2.040 local terms energy: -416.252236 where: bonds (distance) C4'-P energy: -118.890 bonds (distance) P-C4' energy: -137.273 flat angles C4'-P-C4' energy: -122.059 flat angles P-C4'-P energy: -69.014 tors. eta vs tors. theta energy: 30.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2722.710411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.710411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.710411 (E_RNA) where: Base-Base interactions energy: -1869.471 where: short stacking energy: -833.959 Base-Backbone interact. energy: -1.993 local terms energy: -851.246913 where: bonds (distance) C4'-P energy: -146.922 bonds (distance) P-C4' energy: -155.731 flat angles C4'-P-C4' energy: -182.895 flat angles P-C4'-P energy: -127.819 tors. eta vs tors. theta energy: -237.880 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: 344 Temperature: 0.950000 Total energy: -2576.029161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.029161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.029161 (E_RNA) where: Base-Base interactions energy: -1733.698 where: short stacking energy: -760.718 Base-Backbone interact. energy: -3.159 local terms energy: -839.171766 where: bonds (distance) C4'-P energy: -142.523 bonds (distance) P-C4' energy: -172.385 flat angles C4'-P-C4' energy: -183.628 flat angles P-C4'-P energy: -124.493 tors. eta vs tors. theta energy: -216.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2452.228268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.228268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.228268 (E_RNA) where: Base-Base interactions energy: -1655.533 where: short stacking energy: -740.855 Base-Backbone interact. energy: -4.734 local terms energy: -791.961026 where: bonds (distance) C4'-P energy: -158.680 bonds (distance) P-C4' energy: -154.620 flat angles C4'-P-C4' energy: -174.977 flat angles P-C4'-P energy: -103.446 tors. eta vs tors. theta energy: -200.238 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: 9 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2257.955275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.955275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.955275 (E_RNA) where: Base-Base interactions energy: -1557.356 where: short stacking energy: -672.815 Base-Backbone interact. energy: 7.873 local terms energy: -708.471854 where: bonds (distance) C4'-P energy: -158.297 bonds (distance) P-C4' energy: -147.142 flat angles C4'-P-C4' energy: -152.476 flat angles P-C4'-P energy: -94.101 tors. eta vs tors. theta energy: -156.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2247.184841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.184841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.184841 (E_RNA) where: Base-Base interactions energy: -1492.907 where: short stacking energy: -645.844 Base-Backbone interact. energy: -6.907 local terms energy: -747.370809 where: bonds (distance) C4'-P energy: -147.164 bonds (distance) P-C4' energy: -165.837 flat angles C4'-P-C4' energy: -162.011 flat angles P-C4'-P energy: -101.207 tors. eta vs tors. theta energy: -171.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1939.823513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.823513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.823513 (E_RNA) where: Base-Base interactions energy: -1308.631 where: short stacking energy: -560.720 Base-Backbone interact. energy: -1.418 local terms energy: -629.774585 where: bonds (distance) C4'-P energy: -148.112 bonds (distance) P-C4' energy: -143.014 flat angles C4'-P-C4' energy: -147.952 flat angles P-C4'-P energy: -84.603 tors. eta vs tors. theta energy: -106.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1624.397799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.397799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.397799 (E_RNA) where: Base-Base interactions energy: -1002.562 where: short stacking energy: -443.079 Base-Backbone interact. energy: -3.201 local terms energy: -618.634476 where: bonds (distance) C4'-P energy: -151.914 bonds (distance) P-C4' energy: -139.157 flat angles C4'-P-C4' energy: -149.096 flat angles P-C4'-P energy: -93.255 tors. eta vs tors. theta energy: -85.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1245.604876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.604876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.604876 (E_RNA) where: Base-Base interactions energy: -743.081 where: short stacking energy: -365.621 Base-Backbone interact. energy: 1.721 local terms energy: -504.244288 where: bonds (distance) C4'-P energy: -133.353 bonds (distance) P-C4' energy: -123.310 flat angles C4'-P-C4' energy: -135.762 flat angles P-C4'-P energy: -74.306 tors. eta vs tors. theta energy: -37.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -844.429118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.429118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.429118 (E_RNA) where: Base-Base interactions energy: -373.918 where: short stacking energy: -261.580 Base-Backbone interact. energy: -0.022 local terms energy: -470.489414 where: bonds (distance) C4'-P energy: -138.537 bonds (distance) P-C4' energy: -138.626 flat angles C4'-P-C4' energy: -117.831 flat angles P-C4'-P energy: -66.449 tors. eta vs tors. theta energy: -9.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -642.586905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.586905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.586905 (E_RNA) where: Base-Base interactions energy: -221.802 where: short stacking energy: -198.316 Base-Backbone interact. energy: 1.365 local terms energy: -422.150769 where: bonds (distance) C4'-P energy: -124.863 bonds (distance) P-C4' energy: -126.956 flat angles C4'-P-C4' energy: -113.946 flat angles P-C4'-P energy: -69.123 tors. eta vs tors. theta energy: 12.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2697.054846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.054846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.054846 (E_RNA) where: Base-Base interactions energy: -1815.754 where: short stacking energy: -833.089 Base-Backbone interact. energy: -2.898 local terms energy: -878.402558 where: bonds (distance) C4'-P energy: -168.635 bonds (distance) P-C4' energy: -162.479 flat angles C4'-P-C4' energy: -184.858 flat angles P-C4'-P energy: -119.499 tors. eta vs tors. theta energy: -242.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2567.320238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.320238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.320238 (E_RNA) where: Base-Base interactions energy: -1727.559 where: short stacking energy: -744.496 Base-Backbone interact. energy: -3.387 local terms energy: -836.374468 where: bonds (distance) C4'-P energy: -154.051 bonds (distance) P-C4' energy: -171.856 flat angles C4'-P-C4' energy: -174.081 flat angles P-C4'-P energy: -118.659 tors. eta vs tors. theta energy: -217.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2447.480436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.480436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.480436 (E_RNA) where: Base-Base interactions energy: -1646.599 where: short stacking energy: -734.201 Base-Backbone interact. energy: -1.765 local terms energy: -799.116456 where: bonds (distance) C4'-P energy: -135.992 bonds (distance) P-C4' energy: -168.622 flat angles C4'-P-C4' energy: -170.220 flat angles P-C4'-P energy: -95.844 tors. eta vs tors. theta energy: -228.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2265.858739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.858739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.858739 (E_RNA) where: Base-Base interactions energy: -1505.226 where: short stacking energy: -680.083 Base-Backbone interact. energy: -4.594 local terms energy: -756.038713 where: bonds (distance) C4'-P energy: -148.571 bonds (distance) P-C4' energy: -156.347 flat angles C4'-P-C4' energy: -180.042 flat angles P-C4'-P energy: -94.841 tors. eta vs tors. theta energy: -176.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2196.307672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.307672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.307672 (E_RNA) where: Base-Base interactions energy: -1469.442 where: short stacking energy: -605.152 Base-Backbone interact. energy: -3.494 local terms energy: -723.372255 where: bonds (distance) C4'-P energy: -140.296 bonds (distance) P-C4' energy: -154.416 flat angles C4'-P-C4' energy: -152.992 flat angles P-C4'-P energy: -111.836 tors. eta vs tors. theta energy: -163.833 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: 5 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1963.476346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.476346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.476346 (E_RNA) where: Base-Base interactions energy: -1280.500 where: short stacking energy: -549.419 Base-Backbone interact. energy: -1.339 local terms energy: -681.637737 where: bonds (distance) C4'-P energy: -125.728 bonds (distance) P-C4' energy: -163.472 flat angles C4'-P-C4' energy: -173.241 flat angles P-C4'-P energy: -90.204 tors. eta vs tors. theta energy: -128.992 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: 7, replica: 8 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1591.173124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.173124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.173124 (E_RNA) where: Base-Base interactions energy: -1000.031 where: short stacking energy: -450.563 Base-Backbone interact. energy: -3.435 local terms energy: -587.707267 where: bonds (distance) C4'-P energy: -141.355 bonds (distance) P-C4' energy: -135.047 flat angles C4'-P-C4' energy: -136.304 flat angles P-C4'-P energy: -96.463 tors. eta vs tors. theta energy: -78.539 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: 7 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1264.367579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.367579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.367579 (E_RNA) where: Base-Base interactions energy: -737.740 where: short stacking energy: -378.396 Base-Backbone interact. energy: 2.836 local terms energy: -529.464245 where: bonds (distance) C4'-P energy: -128.237 bonds (distance) P-C4' energy: -137.924 flat angles C4'-P-C4' energy: -137.759 flat angles P-C4'-P energy: -70.743 tors. eta vs tors. theta energy: -54.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -820.496147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.496147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.496147 (E_RNA) where: Base-Base interactions energy: -367.088 where: short stacking energy: -226.504 Base-Backbone interact. energy: -2.266 local terms energy: -451.142518 where: bonds (distance) C4'-P energy: -119.212 bonds (distance) P-C4' energy: -132.868 flat angles C4'-P-C4' energy: -126.824 flat angles P-C4'-P energy: -79.546 tors. eta vs tors. theta energy: 7.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -632.232048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.232048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.232048 (E_RNA) where: Base-Base interactions energy: -224.562 where: short stacking energy: -202.705 Base-Backbone interact. energy: 11.141 local terms energy: -418.810576 where: bonds (distance) C4'-P energy: -142.329 bonds (distance) P-C4' energy: -135.624 flat angles C4'-P-C4' energy: -126.831 flat angles P-C4'-P energy: -58.231 tors. eta vs tors. theta energy: 44.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2708.906425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.906425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.906425 (E_RNA) where: Base-Base interactions energy: -1841.139 where: short stacking energy: -829.117 Base-Backbone interact. energy: -5.009 local terms energy: -862.758026 where: bonds (distance) C4'-P energy: -158.954 bonds (distance) P-C4' energy: -147.062 flat angles C4'-P-C4' energy: -177.378 flat angles P-C4'-P energy: -137.625 tors. eta vs tors. theta energy: -241.739 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: 2 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2533.615111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.615111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.615111 (E_RNA) where: Base-Base interactions energy: -1710.878 where: short stacking energy: -750.890 Base-Backbone interact. energy: -3.817 local terms energy: -818.920562 where: bonds (distance) C4'-P energy: -157.870 bonds (distance) P-C4' energy: -157.533 flat angles C4'-P-C4' energy: -188.177 flat angles P-C4'-P energy: -116.600 tors. eta vs tors. theta energy: -198.741 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: 3 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2464.672631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.672631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.672631 (E_RNA) where: Base-Base interactions energy: -1658.015 where: short stacking energy: -757.519 Base-Backbone interact. energy: -3.634 local terms energy: -803.023716 where: bonds (distance) C4'-P energy: -159.766 bonds (distance) P-C4' energy: -142.168 flat angles C4'-P-C4' energy: -171.182 flat angles P-C4'-P energy: -110.757 tors. eta vs tors. theta energy: -219.151 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: 9 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2259.876476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.876476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.876476 (E_RNA) where: Base-Base interactions energy: -1520.005 where: short stacking energy: -654.595 Base-Backbone interact. energy: -2.971 local terms energy: -736.900175 where: bonds (distance) C4'-P energy: -150.568 bonds (distance) P-C4' energy: -157.951 flat angles C4'-P-C4' energy: -159.362 flat angles P-C4'-P energy: -100.545 tors. eta vs tors. theta energy: -168.474 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: 346 Temperature: 1.100000 Total energy: -2172.975912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.975912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.975912 (E_RNA) where: Base-Base interactions energy: -1447.902 where: short stacking energy: -612.278 Base-Backbone interact. energy: -1.033 local terms energy: -724.041080 where: bonds (distance) C4'-P energy: -142.469 bonds (distance) P-C4' energy: -154.180 flat angles C4'-P-C4' energy: -166.453 flat angles P-C4'-P energy: -99.132 tors. eta vs tors. theta energy: -161.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1987.623483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.623483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.623483 (E_RNA) where: Base-Base interactions energy: -1327.525 where: short stacking energy: -583.136 Base-Backbone interact. energy: -4.737 local terms energy: -655.362325 where: bonds (distance) C4'-P energy: -123.591 bonds (distance) P-C4' energy: -153.107 flat angles C4'-P-C4' energy: -147.608 flat angles P-C4'-P energy: -99.919 tors. eta vs tors. theta energy: -131.136 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: 7, replica: 8 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1627.074579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.074579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.074579 (E_RNA) where: Base-Base interactions energy: -1063.400 where: short stacking energy: -487.058 Base-Backbone interact. energy: 2.462 local terms energy: -566.136055 where: bonds (distance) C4'-P energy: -109.482 bonds (distance) P-C4' energy: -137.804 flat angles C4'-P-C4' energy: -140.127 flat angles P-C4'-P energy: -78.626 tors. eta vs tors. theta energy: -100.097 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: 7 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1237.340550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.340550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.340550 (E_RNA) where: Base-Base interactions energy: -719.555 where: short stacking energy: -366.624 Base-Backbone interact. energy: -2.847 local terms energy: -514.938378 where: bonds (distance) C4'-P energy: -141.808 bonds (distance) P-C4' energy: -135.606 flat angles C4'-P-C4' energy: -122.770 flat angles P-C4'-P energy: -71.753 tors. eta vs tors. theta energy: -43.001 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: 6 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -839.135325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.135325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.135325 (E_RNA) where: Base-Base interactions energy: -374.026 where: short stacking energy: -246.558 Base-Backbone interact. energy: 1.941 local terms energy: -467.050095 where: bonds (distance) C4'-P energy: -140.661 bonds (distance) P-C4' energy: -143.595 flat angles C4'-P-C4' energy: -108.138 flat angles P-C4'-P energy: -72.919 tors. eta vs tors. theta energy: -1.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -643.033714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.033714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.033714 (E_RNA) where: Base-Base interactions energy: -287.001 where: short stacking energy: -215.560 Base-Backbone interact. energy: 9.920 local terms energy: -365.952482 where: bonds (distance) C4'-P energy: -116.281 bonds (distance) P-C4' energy: -107.619 flat angles C4'-P-C4' energy: -93.125 flat angles P-C4'-P energy: -64.469 tors. eta vs tors. theta energy: 15.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2683.759303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.759303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.759303 (E_RNA) where: Base-Base interactions energy: -1800.992 where: short stacking energy: -826.244 Base-Backbone interact. energy: -3.799 local terms energy: -878.967533 where: bonds (distance) C4'-P energy: -149.166 bonds (distance) P-C4' energy: -163.982 flat angles C4'-P-C4' energy: -189.650 flat angles P-C4'-P energy: -123.657 tors. eta vs tors. theta energy: -252.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2558.134362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.134362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.134362 (E_RNA) where: Base-Base interactions energy: -1744.721 where: short stacking energy: -764.490 Base-Backbone interact. energy: -2.680 local terms energy: -810.733173 where: bonds (distance) C4'-P energy: -147.066 bonds (distance) P-C4' energy: -161.328 flat angles C4'-P-C4' energy: -180.657 flat angles P-C4'-P energy: -113.482 tors. eta vs tors. theta energy: -208.201 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: 3 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2489.378489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.378489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.378489 (E_RNA) where: Base-Base interactions energy: -1706.664 where: short stacking energy: -743.559 Base-Backbone interact. energy: -3.705 local terms energy: -779.009258 where: bonds (distance) C4'-P energy: -158.847 bonds (distance) P-C4' energy: -147.656 flat angles C4'-P-C4' energy: -170.004 flat angles P-C4'-P energy: -99.831 tors. eta vs tors. theta energy: -202.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2309.282069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.282069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.282069 (E_RNA) where: Base-Base interactions energy: -1548.565 where: short stacking energy: -683.572 Base-Backbone interact. energy: 0.230 local terms energy: -760.946442 where: bonds (distance) C4'-P energy: -138.529 bonds (distance) P-C4' energy: -153.077 flat angles C4'-P-C4' energy: -166.725 flat angles P-C4'-P energy: -111.924 tors. eta vs tors. theta energy: -190.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2180.340461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.340461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.340461 (E_RNA) where: Base-Base interactions energy: -1458.808 where: short stacking energy: -604.663 Base-Backbone interact. energy: -3.357 local terms energy: -718.175556 where: bonds (distance) C4'-P energy: -131.810 bonds (distance) P-C4' energy: -154.675 flat angles C4'-P-C4' energy: -155.442 flat angles P-C4'-P energy: -125.081 tors. eta vs tors. theta energy: -151.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1942.418670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.418670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.418670 (E_RNA) where: Base-Base interactions energy: -1256.951 where: short stacking energy: -597.974 Base-Backbone interact. energy: -3.034 local terms energy: -682.434158 where: bonds (distance) C4'-P energy: -127.119 bonds (distance) P-C4' energy: -144.504 flat angles C4'-P-C4' energy: -155.900 flat angles P-C4'-P energy: -111.131 tors. eta vs tors. theta energy: -143.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1617.216488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.216488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.216488 (E_RNA) where: Base-Base interactions energy: -1024.272 where: short stacking energy: -464.480 Base-Backbone interact. energy: 6.409 local terms energy: -599.353780 where: bonds (distance) C4'-P energy: -127.342 bonds (distance) P-C4' energy: -156.825 flat angles C4'-P-C4' energy: -140.227 flat angles P-C4'-P energy: -81.849 tors. eta vs tors. theta energy: -93.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1232.187863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.187863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.187863 (E_RNA) where: Base-Base interactions energy: -731.295 where: short stacking energy: -376.564 Base-Backbone interact. energy: 1.628 local terms energy: -502.520834 where: bonds (distance) C4'-P energy: -127.240 bonds (distance) P-C4' energy: -141.991 flat angles C4'-P-C4' energy: -118.136 flat angles P-C4'-P energy: -65.949 tors. eta vs tors. theta energy: -49.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -787.218231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.218231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.218231 (E_RNA) where: Base-Base interactions energy: -348.538 where: short stacking energy: -188.839 Base-Backbone interact. energy: 1.736 local terms energy: -440.415483 where: bonds (distance) C4'-P energy: -141.269 bonds (distance) P-C4' energy: -140.812 flat angles C4'-P-C4' energy: -124.819 flat angles P-C4'-P energy: -71.563 tors. eta vs tors. theta energy: 38.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -614.588708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.588708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.588708 (E_RNA) where: Base-Base interactions energy: -238.860 where: short stacking energy: -194.919 Base-Backbone interact. energy: 14.523 local terms energy: -390.251545 where: bonds (distance) C4'-P energy: -139.378 bonds (distance) P-C4' energy: -125.511 flat angles C4'-P-C4' energy: -95.620 flat angles P-C4'-P energy: -61.617 tors. eta vs tors. theta energy: 31.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2675.964124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.964124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.964124 (E_RNA) where: Base-Base interactions energy: -1793.132 where: short stacking energy: -830.911 Base-Backbone interact. energy: -3.185 local terms energy: -879.647233 where: bonds (distance) C4'-P energy: -171.901 bonds (distance) P-C4' energy: -159.519 flat angles C4'-P-C4' energy: -182.736 flat angles P-C4'-P energy: -109.178 tors. eta vs tors. theta energy: -256.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2543.801180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.801180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.801180 (E_RNA) where: Base-Base interactions energy: -1751.534 where: short stacking energy: -752.647 Base-Backbone interact. energy: -4.431 local terms energy: -787.835651 where: bonds (distance) C4'-P energy: -148.249 bonds (distance) P-C4' energy: -140.630 flat angles C4'-P-C4' energy: -184.445 flat angles P-C4'-P energy: -121.218 tors. eta vs tors. theta energy: -193.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2455.527959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.527959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.527959 (E_RNA) where: Base-Base interactions energy: -1654.573 where: short stacking energy: -708.635 Base-Backbone interact. energy: -5.363 local terms energy: -795.592372 where: bonds (distance) C4'-P energy: -150.585 bonds (distance) P-C4' energy: -168.617 flat angles C4'-P-C4' energy: -164.563 flat angles P-C4'-P energy: -105.442 tors. eta vs tors. theta energy: -206.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2311.898616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.898616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.898616 (E_RNA) where: Base-Base interactions energy: -1534.155 where: short stacking energy: -679.682 Base-Backbone interact. energy: -3.184 local terms energy: -774.559587 where: bonds (distance) C4'-P energy: -147.306 bonds (distance) P-C4' energy: -155.311 flat angles C4'-P-C4' energy: -173.497 flat angles P-C4'-P energy: -108.703 tors. eta vs tors. theta energy: -189.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2254.413760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.413760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.413760 (E_RNA) where: Base-Base interactions energy: -1521.464 where: short stacking energy: -649.857 Base-Backbone interact. energy: -3.480 local terms energy: -729.469995 where: bonds (distance) C4'-P energy: -138.003 bonds (distance) P-C4' energy: -146.318 flat angles C4'-P-C4' energy: -164.452 flat angles P-C4'-P energy: -100.973 tors. eta vs tors. theta energy: -179.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1959.895723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.895723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.895723 (E_RNA) where: Base-Base interactions energy: -1292.507 where: short stacking energy: -548.304 Base-Backbone interact. energy: -2.798 local terms energy: -664.590436 where: bonds (distance) C4'-P energy: -147.027 bonds (distance) P-C4' energy: -131.696 flat angles C4'-P-C4' energy: -155.585 flat angles P-C4'-P energy: -107.953 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: 7, replica: 8 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1572.681855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.681855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.681855 (E_RNA) where: Base-Base interactions energy: -1009.015 where: short stacking energy: -472.729 Base-Backbone interact. energy: 4.366 local terms energy: -568.033522 where: bonds (distance) C4'-P energy: -128.140 bonds (distance) P-C4' energy: -139.385 flat angles C4'-P-C4' energy: -136.223 flat angles P-C4'-P energy: -84.737 tors. eta vs tors. theta energy: -79.548 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: 8, replica: 7 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1251.414495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.414495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.414495 (E_RNA) where: Base-Base interactions energy: -734.041 where: short stacking energy: -369.798 Base-Backbone interact. energy: -4.671 local terms energy: -512.702240 where: bonds (distance) C4'-P energy: -130.999 bonds (distance) P-C4' energy: -133.028 flat angles C4'-P-C4' energy: -140.049 flat angles P-C4'-P energy: -80.302 tors. eta vs tors. theta energy: -28.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -814.728469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.728469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.728469 (E_RNA) where: Base-Base interactions energy: -366.279 where: short stacking energy: -243.798 Base-Backbone interact. energy: -0.960 local terms energy: -447.489426 where: bonds (distance) C4'-P energy: -123.678 bonds (distance) P-C4' energy: -142.161 flat angles C4'-P-C4' energy: -119.451 flat angles P-C4'-P energy: -70.837 tors. eta vs tors. theta energy: 8.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -625.958020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.958020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.958020 (E_RNA) where: Base-Base interactions energy: -205.358 where: short stacking energy: -175.774 Base-Backbone interact. energy: 0.939 local terms energy: -421.539014 where: bonds (distance) C4'-P energy: -125.685 bonds (distance) P-C4' energy: -156.150 flat angles C4'-P-C4' energy: -92.195 flat angles P-C4'-P energy: -80.756 tors. eta vs tors. theta energy: 33.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2724.445136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.445136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.445136 (E_RNA) where: Base-Base interactions energy: -1832.022 where: short stacking energy: -828.304 Base-Backbone interact. energy: -0.775 local terms energy: -891.648374 where: bonds (distance) C4'-P energy: -170.582 bonds (distance) P-C4' energy: -166.280 flat angles C4'-P-C4' energy: -180.134 flat angles P-C4'-P energy: -121.926 tors. eta vs tors. theta energy: -252.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2527.531958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.531958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.531958 (E_RNA) where: Base-Base interactions energy: -1734.116 where: short stacking energy: -762.939 Base-Backbone interact. energy: 1.372 local terms energy: -794.787281 where: bonds (distance) C4'-P energy: -144.852 bonds (distance) P-C4' energy: -158.887 flat angles C4'-P-C4' energy: -188.419 flat angles P-C4'-P energy: -105.823 tors. eta vs tors. theta energy: -196.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2521.730540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.730540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.730540 (E_RNA) where: Base-Base interactions energy: -1731.027 where: short stacking energy: -749.452 Base-Backbone interact. energy: -3.246 local terms energy: -787.457354 where: bonds (distance) C4'-P energy: -139.522 bonds (distance) P-C4' energy: -162.497 flat angles C4'-P-C4' energy: -170.799 flat angles P-C4'-P energy: -101.402 tors. eta vs tors. theta energy: -213.238 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: 9 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2328.025619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.025619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.025619 (E_RNA) where: Base-Base interactions energy: -1590.221 where: short stacking energy: -679.512 Base-Backbone interact. energy: -2.629 local terms energy: -735.175836 where: bonds (distance) C4'-P energy: -149.449 bonds (distance) P-C4' energy: -132.746 flat angles C4'-P-C4' energy: -164.635 flat angles P-C4'-P energy: -108.104 tors. eta vs tors. theta energy: -180.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2241.593815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.593815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.593815 (E_RNA) where: Base-Base interactions energy: -1524.134 where: short stacking energy: -659.677 Base-Backbone interact. energy: 0.194 local terms energy: -717.653443 where: bonds (distance) C4'-P energy: -134.876 bonds (distance) P-C4' energy: -148.791 flat angles C4'-P-C4' energy: -175.285 flat angles P-C4'-P energy: -94.103 tors. eta vs tors. theta energy: -164.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1971.663479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.663479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.663479 (E_RNA) where: Base-Base interactions energy: -1298.142 where: short stacking energy: -566.157 Base-Backbone interact. energy: -0.694 local terms energy: -672.826944 where: bonds (distance) C4'-P energy: -126.454 bonds (distance) P-C4' energy: -144.490 flat angles C4'-P-C4' energy: -154.423 flat angles P-C4'-P energy: -107.978 tors. eta vs tors. theta energy: -139.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1587.686500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.686500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.686500 (E_RNA) where: Base-Base interactions energy: -1010.994 where: short stacking energy: -464.463 Base-Backbone interact. energy: -0.091 local terms energy: -576.601527 where: bonds (distance) C4'-P energy: -123.667 bonds (distance) P-C4' energy: -137.628 flat angles C4'-P-C4' energy: -153.919 flat angles P-C4'-P energy: -73.340 tors. eta vs tors. theta energy: -88.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1302.515776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.515776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.515776 (E_RNA) where: Base-Base interactions energy: -794.151 where: short stacking energy: -385.122 Base-Backbone interact. energy: -1.616 local terms energy: -506.748989 where: bonds (distance) C4'-P energy: -109.417 bonds (distance) P-C4' energy: -125.219 flat angles C4'-P-C4' energy: -145.568 flat angles P-C4'-P energy: -62.545 tors. eta vs tors. theta energy: -64.000 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: 6 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -783.876611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.876611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.876611 (E_RNA) where: Base-Base interactions energy: -320.050 where: short stacking energy: -224.246 Base-Backbone interact. energy: 0.342 local terms energy: -464.168168 where: bonds (distance) C4'-P energy: -113.956 bonds (distance) P-C4' energy: -141.723 flat angles C4'-P-C4' energy: -143.272 flat angles P-C4'-P energy: -60.730 tors. eta vs tors. theta energy: -4.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -660.570025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.570025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.570025 (E_RNA) where: Base-Base interactions energy: -244.122 where: short stacking energy: -189.793 Base-Backbone interact. energy: 2.219 local terms energy: -418.667162 where: bonds (distance) C4'-P energy: -143.666 bonds (distance) P-C4' energy: -139.788 flat angles C4'-P-C4' energy: -104.478 flat angles P-C4'-P energy: -57.978 tors. eta vs tors. theta energy: 27.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2692.774875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.774875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.774875 (E_RNA) where: Base-Base interactions energy: -1829.396 where: short stacking energy: -808.422 Base-Backbone interact. energy: -4.387 local terms energy: -858.992028 where: bonds (distance) C4'-P energy: -157.562 bonds (distance) P-C4' energy: -152.381 flat angles C4'-P-C4' energy: -180.367 flat angles P-C4'-P energy: -125.552 tors. eta vs tors. theta energy: -243.131 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: 350 Temperature: 0.950000 Total energy: -2584.435252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.435252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.435252 (E_RNA) where: Base-Base interactions energy: -1774.986 where: short stacking energy: -769.368 Base-Backbone interact. energy: -0.392 local terms energy: -809.057088 where: bonds (distance) C4'-P energy: -161.770 bonds (distance) P-C4' energy: -155.923 flat angles C4'-P-C4' energy: -169.987 flat angles P-C4'-P energy: -108.777 tors. eta vs tors. theta energy: -212.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2515.478192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.478192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.478192 (E_RNA) where: Base-Base interactions energy: -1736.512 where: short stacking energy: -760.171 Base-Backbone interact. energy: -2.530 local terms energy: -776.436313 where: bonds (distance) C4'-P energy: -153.705 bonds (distance) P-C4' energy: -150.257 flat angles C4'-P-C4' energy: -162.687 flat angles P-C4'-P energy: -102.534 tors. eta vs tors. theta energy: -207.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2299.141069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.141069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.141069 (E_RNA) where: Base-Base interactions energy: -1543.568 where: short stacking energy: -660.268 Base-Backbone interact. energy: -0.920 local terms energy: -754.652754 where: bonds (distance) C4'-P energy: -146.742 bonds (distance) P-C4' energy: -151.404 flat angles C4'-P-C4' energy: -167.353 flat angles P-C4'-P energy: -111.379 tors. eta vs tors. theta energy: -177.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2226.067805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.067805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.067805 (E_RNA) where: Base-Base interactions energy: -1473.569 where: short stacking energy: -662.477 Base-Backbone interact. energy: 0.883 local terms energy: -753.381543 where: bonds (distance) C4'-P energy: -164.494 bonds (distance) P-C4' energy: -155.249 flat angles C4'-P-C4' energy: -149.739 flat angles P-C4'-P energy: -119.731 tors. eta vs tors. theta energy: -164.169 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: 5 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1901.586711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.586711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.586711 (E_RNA) where: Base-Base interactions energy: -1277.689 where: short stacking energy: -551.720 Base-Backbone interact. energy: -1.724 local terms energy: -622.173368 where: bonds (distance) C4'-P energy: -147.783 bonds (distance) P-C4' energy: -120.791 flat angles C4'-P-C4' energy: -129.833 flat angles P-C4'-P energy: -103.992 tors. eta vs tors. theta energy: -119.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1613.507525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.507525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.507525 (E_RNA) where: Base-Base interactions energy: -1006.102 where: short stacking energy: -462.778 Base-Backbone interact. energy: -0.278 local terms energy: -607.127610 where: bonds (distance) C4'-P energy: -146.785 bonds (distance) P-C4' energy: -145.130 flat angles C4'-P-C4' energy: -137.463 flat angles P-C4'-P energy: -87.370 tors. eta vs tors. theta energy: -90.379 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: 350 Temperature: 1.250000 Total energy: -1335.878716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.878716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.878716 (E_RNA) where: Base-Base interactions energy: -784.638 where: short stacking energy: -402.940 Base-Backbone interact. energy: -3.688 local terms energy: -547.553532 where: bonds (distance) C4'-P energy: -132.715 bonds (distance) P-C4' energy: -138.932 flat angles C4'-P-C4' energy: -123.561 flat angles P-C4'-P energy: -88.680 tors. eta vs tors. theta energy: -63.666 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: 9, replica: 10 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -730.355726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.355726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.355726 (E_RNA) where: Base-Base interactions energy: -276.945 where: short stacking energy: -193.112 Base-Backbone interact. energy: 0.906 local terms energy: -454.315968 where: bonds (distance) C4'-P energy: -123.143 bonds (distance) P-C4' energy: -130.143 flat angles C4'-P-C4' energy: -131.285 flat angles P-C4'-P energy: -82.502 tors. eta vs tors. theta energy: 12.758 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: 6 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -663.158576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.158576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.158576 (E_RNA) where: Base-Base interactions energy: -253.096 where: short stacking energy: -210.150 Base-Backbone interact. energy: 1.788 local terms energy: -411.850342 where: bonds (distance) C4'-P energy: -134.876 bonds (distance) P-C4' energy: -151.207 flat angles C4'-P-C4' energy: -110.968 flat angles P-C4'-P energy: -50.900 tors. eta vs tors. theta energy: 36.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2689.982545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.982545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.982545 (E_RNA) where: Base-Base interactions energy: -1828.462 where: short stacking energy: -821.322 Base-Backbone interact. energy: 1.454 local terms energy: -862.975082 where: bonds (distance) C4'-P energy: -171.403 bonds (distance) P-C4' energy: -156.457 flat angles C4'-P-C4' energy: -176.174 flat angles P-C4'-P energy: -121.070 tors. eta vs tors. theta energy: -237.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2556.901651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.901651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.901651 (E_RNA) where: Base-Base interactions energy: -1743.195 where: short stacking energy: -766.998 Base-Backbone interact. energy: -0.698 local terms energy: -813.008797 where: bonds (distance) C4'-P energy: -161.517 bonds (distance) P-C4' energy: -150.847 flat angles C4'-P-C4' energy: -170.334 flat angles P-C4'-P energy: -112.865 tors. eta vs tors. theta energy: -217.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2555.560429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.560429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.560429 (E_RNA) where: Base-Base interactions energy: -1742.791 where: short stacking energy: -767.138 Base-Backbone interact. energy: 4.869 local terms energy: -817.638088 where: bonds (distance) C4'-P energy: -139.684 bonds (distance) P-C4' energy: -158.655 flat angles C4'-P-C4' energy: -163.846 flat angles P-C4'-P energy: -123.616 tors. eta vs tors. theta energy: -231.838 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: 9 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2272.347946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.347946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.347946 (E_RNA) where: Base-Base interactions energy: -1528.100 where: short stacking energy: -641.708 Base-Backbone interact. energy: -4.857 local terms energy: -739.391316 where: bonds (distance) C4'-P energy: -147.006 bonds (distance) P-C4' energy: -151.510 flat angles C4'-P-C4' energy: -166.320 flat angles P-C4'-P energy: -98.178 tors. eta vs tors. theta energy: -176.378 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: 5, replica: 4 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2230.860737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.860737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.860737 (E_RNA) where: Base-Base interactions energy: -1477.851 where: short stacking energy: -646.644 Base-Backbone interact. energy: -4.347 local terms energy: -748.662650 where: bonds (distance) C4'-P energy: -142.920 bonds (distance) P-C4' energy: -151.871 flat angles C4'-P-C4' energy: -174.818 flat angles P-C4'-P energy: -108.154 tors. eta vs tors. theta energy: -170.900 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: 5 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1888.790594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.790594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.790594 (E_RNA) where: Base-Base interactions energy: -1195.515 where: short stacking energy: -527.676 Base-Backbone interact. energy: -2.839 local terms energy: -690.437290 where: bonds (distance) C4'-P energy: -143.947 bonds (distance) P-C4' energy: -153.702 flat angles C4'-P-C4' energy: -160.311 flat angles P-C4'-P energy: -98.644 tors. eta vs tors. theta energy: -133.833 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: 8 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1574.413050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.413050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.413050 (E_RNA) where: Base-Base interactions energy: -993.400 where: short stacking energy: -494.683 Base-Backbone interact. energy: -6.506 local terms energy: -574.506946 where: bonds (distance) C4'-P energy: -122.141 bonds (distance) P-C4' energy: -133.364 flat angles C4'-P-C4' energy: -131.821 flat angles P-C4'-P energy: -85.947 tors. eta vs tors. theta energy: -101.235 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: 7 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1320.817251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.817251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.817251 (E_RNA) where: Base-Base interactions energy: -773.979 where: short stacking energy: -363.257 Base-Backbone interact. energy: 0.158 local terms energy: -546.996340 where: bonds (distance) C4'-P energy: -142.065 bonds (distance) P-C4' energy: -158.876 flat angles C4'-P-C4' energy: -124.257 flat angles P-C4'-P energy: -75.531 tors. eta vs tors. theta energy: -46.267 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: 10 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -755.262738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.262738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.262738 (E_RNA) where: Base-Base interactions energy: -294.452 where: short stacking energy: -228.907 Base-Backbone interact. energy: -0.227 local terms energy: -460.583290 where: bonds (distance) C4'-P energy: -135.216 bonds (distance) P-C4' energy: -122.335 flat angles C4'-P-C4' energy: -128.413 flat angles P-C4'-P energy: -70.220 tors. eta vs tors. theta energy: -4.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -663.670850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.670850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.670850 (E_RNA) where: Base-Base interactions energy: -250.686 where: short stacking energy: -183.461 Base-Backbone interact. energy: -0.423 local terms energy: -412.562296 where: bonds (distance) C4'-P energy: -128.299 bonds (distance) P-C4' energy: -142.780 flat angles C4'-P-C4' energy: -112.658 flat angles P-C4'-P energy: -70.058 tors. eta vs tors. theta energy: 41.233 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: 1 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2709.549153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.549153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.549153 (E_RNA) where: Base-Base interactions energy: -1844.859 where: short stacking energy: -840.267 Base-Backbone interact. energy: 0.258 local terms energy: -864.947803 where: bonds (distance) C4'-P energy: -147.541 bonds (distance) P-C4' energy: -166.652 flat angles C4'-P-C4' energy: -186.065 flat angles P-C4'-P energy: -131.142 tors. eta vs tors. theta energy: -233.548 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: 2 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2580.980718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.980718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.980718 (E_RNA) where: Base-Base interactions energy: -1747.182 where: short stacking energy: -730.056 Base-Backbone interact. energy: -2.148 local terms energy: -831.651182 where: bonds (distance) C4'-P energy: -168.180 bonds (distance) P-C4' energy: -165.018 flat angles C4'-P-C4' energy: -174.526 flat angles P-C4'-P energy: -121.132 tors. eta vs tors. theta energy: -202.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2559.084396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.084396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.084396 (E_RNA) where: Base-Base interactions energy: -1735.439 where: short stacking energy: -728.731 Base-Backbone interact. energy: 0.880 local terms energy: -824.525473 where: bonds (distance) C4'-P energy: -164.849 bonds (distance) P-C4' energy: -164.204 flat angles C4'-P-C4' energy: -176.396 flat angles P-C4'-P energy: -115.065 tors. eta vs tors. theta energy: -204.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2285.966006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.966006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.966006 (E_RNA) where: Base-Base interactions energy: -1509.197 where: short stacking energy: -664.039 Base-Backbone interact. energy: 1.384 local terms energy: -778.152493 where: bonds (distance) C4'-P energy: -173.011 bonds (distance) P-C4' energy: -155.981 flat angles C4'-P-C4' energy: -163.978 flat angles P-C4'-P energy: -110.268 tors. eta vs tors. theta energy: -174.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2194.782395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.782395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.782395 (E_RNA) where: Base-Base interactions energy: -1498.069 where: short stacking energy: -658.716 Base-Backbone interact. energy: 2.927 local terms energy: -699.640431 where: bonds (distance) C4'-P energy: -129.644 bonds (distance) P-C4' energy: -140.994 flat angles C4'-P-C4' energy: -146.931 flat angles P-C4'-P energy: -102.383 tors. eta vs tors. theta energy: -179.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1875.798734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.798734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.798734 (E_RNA) where: Base-Base interactions energy: -1234.060 where: short stacking energy: -544.420 Base-Backbone interact. energy: 0.464 local terms energy: -642.203408 where: bonds (distance) C4'-P energy: -120.389 bonds (distance) P-C4' energy: -153.766 flat angles C4'-P-C4' energy: -151.962 flat angles P-C4'-P energy: -90.433 tors. eta vs tors. theta energy: -125.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1618.133840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.133840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.133840 (E_RNA) where: Base-Base interactions energy: -1024.539 where: short stacking energy: -453.797 Base-Backbone interact. energy: -1.859 local terms energy: -591.736397 where: bonds (distance) C4'-P energy: -131.172 bonds (distance) P-C4' energy: -149.007 flat angles C4'-P-C4' energy: -128.265 flat angles P-C4'-P energy: -93.098 tors. eta vs tors. theta energy: -90.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1441.754223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.754223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.754223 (E_RNA) where: Base-Base interactions energy: -879.363 where: short stacking energy: -405.092 Base-Backbone interact. energy: 0.744 local terms energy: -563.135821 where: bonds (distance) C4'-P energy: -139.674 bonds (distance) P-C4' energy: -140.163 flat angles C4'-P-C4' energy: -128.663 flat angles P-C4'-P energy: -83.998 tors. eta vs tors. theta energy: -70.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -735.379363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.379363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.379363 (E_RNA) where: Base-Base interactions energy: -303.437 where: short stacking energy: -208.122 Base-Backbone interact. energy: 0.620 local terms energy: -432.562359 where: bonds (distance) C4'-P energy: -116.908 bonds (distance) P-C4' energy: -152.517 flat angles C4'-P-C4' energy: -116.511 flat angles P-C4'-P energy: -73.764 tors. eta vs tors. theta energy: 27.137 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: 6 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -726.290616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.290616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.290616 (E_RNA) where: Base-Base interactions energy: -298.131 where: short stacking energy: -208.287 Base-Backbone interact. energy: 9.254 local terms energy: -437.413869 where: bonds (distance) C4'-P energy: -129.135 bonds (distance) P-C4' energy: -130.045 flat angles C4'-P-C4' energy: -113.100 flat angles P-C4'-P energy: -77.985 tors. eta vs tors. theta energy: 12.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2689.694025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.694025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.694025 (E_RNA) where: Base-Base interactions energy: -1810.958 where: short stacking energy: -820.515 Base-Backbone interact. energy: -2.743 local terms energy: -875.993434 where: bonds (distance) C4'-P energy: -162.856 bonds (distance) P-C4' energy: -159.973 flat angles C4'-P-C4' energy: -180.332 flat angles P-C4'-P energy: -128.321 tors. eta vs tors. theta energy: -244.511 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: 2, replica: 3 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2629.678136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.678136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.678136 (E_RNA) where: Base-Base interactions energy: -1803.317 where: short stacking energy: -794.043 Base-Backbone interact. energy: -2.109 local terms energy: -824.252796 where: bonds (distance) C4'-P energy: -135.775 bonds (distance) P-C4' energy: -163.143 flat angles C4'-P-C4' energy: -179.570 flat angles P-C4'-P energy: -119.789 tors. eta vs tors. theta energy: -225.976 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: 353 Temperature: 1.000000 Total energy: -2510.062808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.062808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.062808 (E_RNA) where: Base-Base interactions energy: -1718.160 where: short stacking energy: -742.946 Base-Backbone interact. energy: -2.713 local terms energy: -789.190423 where: bonds (distance) C4'-P energy: -156.969 bonds (distance) P-C4' energy: -166.206 flat angles C4'-P-C4' energy: -155.771 flat angles P-C4'-P energy: -105.034 tors. eta vs tors. theta energy: -205.211 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: 9 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2257.900137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.900137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.900137 (E_RNA) where: Base-Base interactions energy: -1535.112 where: short stacking energy: -661.736 Base-Backbone interact. energy: 1.359 local terms energy: -724.146316 where: bonds (distance) C4'-P energy: -155.168 bonds (distance) P-C4' energy: -150.401 flat angles C4'-P-C4' energy: -166.022 flat angles P-C4'-P energy: -86.717 tors. eta vs tors. theta energy: -165.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2192.530773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.530773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.530773 (E_RNA) where: Base-Base interactions energy: -1467.441 where: short stacking energy: -640.755 Base-Backbone interact. energy: -4.431 local terms energy: -720.658935 where: bonds (distance) C4'-P energy: -133.588 bonds (distance) P-C4' energy: -137.931 flat angles C4'-P-C4' energy: -173.459 flat angles P-C4'-P energy: -111.147 tors. eta vs tors. theta energy: -164.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1920.684544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.684544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.684544 (E_RNA) where: Base-Base interactions energy: -1240.868 where: short stacking energy: -553.456 Base-Backbone interact. energy: -3.808 local terms energy: -676.008666 where: bonds (distance) C4'-P energy: -138.147 bonds (distance) P-C4' energy: -170.491 flat angles C4'-P-C4' energy: -159.176 flat angles P-C4'-P energy: -93.385 tors. eta vs tors. theta energy: -114.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1624.150386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.150386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.150386 (E_RNA) where: Base-Base interactions energy: -1025.538 where: short stacking energy: -491.683 Base-Backbone interact. energy: -1.175 local terms energy: -597.436576 where: bonds (distance) C4'-P energy: -94.495 bonds (distance) P-C4' energy: -159.971 flat angles C4'-P-C4' energy: -149.412 flat angles P-C4'-P energy: -101.664 tors. eta vs tors. theta energy: -91.895 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: 7 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1459.608540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.608540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.608540 (E_RNA) where: Base-Base interactions energy: -871.593 where: short stacking energy: -434.638 Base-Backbone interact. energy: -1.290 local terms energy: -586.725235 where: bonds (distance) C4'-P energy: -139.691 bonds (distance) P-C4' energy: -127.658 flat angles C4'-P-C4' energy: -140.954 flat angles P-C4'-P energy: -101.580 tors. eta vs tors. theta energy: -76.841 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: 10 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -738.198382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.198382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.198382 (E_RNA) where: Base-Base interactions energy: -287.690 where: short stacking energy: -224.460 Base-Backbone interact. energy: 1.008 local terms energy: -451.516596 where: bonds (distance) C4'-P energy: -131.803 bonds (distance) P-C4' energy: -166.809 flat angles C4'-P-C4' energy: -120.127 flat angles P-C4'-P energy: -54.113 tors. eta vs tors. theta energy: 21.334 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: 6 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -711.498642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.498642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.498642 (E_RNA) where: Base-Base interactions energy: -294.969 where: short stacking energy: -195.075 Base-Backbone interact. energy: 3.603 local terms energy: -420.132295 where: bonds (distance) C4'-P energy: -103.947 bonds (distance) P-C4' energy: -149.803 flat angles C4'-P-C4' energy: -104.683 flat angles P-C4'-P energy: -80.595 tors. eta vs tors. theta energy: 18.895 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: 1 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2706.835778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.835778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.835778 (E_RNA) where: Base-Base interactions energy: -1824.512 where: short stacking energy: -839.301 Base-Backbone interact. energy: -2.989 local terms energy: -879.334356 where: bonds (distance) C4'-P energy: -155.243 bonds (distance) P-C4' energy: -155.803 flat angles C4'-P-C4' energy: -185.682 flat angles P-C4'-P energy: -122.602 tors. eta vs tors. theta energy: -260.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2651.082109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.082109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.082109 (E_RNA) where: Base-Base interactions energy: -1837.508 where: short stacking energy: -812.037 Base-Backbone interact. energy: -3.835 local terms energy: -809.738679 where: bonds (distance) C4'-P energy: -144.714 bonds (distance) P-C4' energy: -152.370 flat angles C4'-P-C4' energy: -174.878 flat angles P-C4'-P energy: -111.148 tors. eta vs tors. theta energy: -226.628 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: 2 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2545.794790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.794790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.794790 (E_RNA) where: Base-Base interactions energy: -1733.503 where: short stacking energy: -759.408 Base-Backbone interact. energy: -4.139 local terms energy: -808.153279 where: bonds (distance) C4'-P energy: -150.912 bonds (distance) P-C4' energy: -155.144 flat angles C4'-P-C4' energy: -183.948 flat angles P-C4'-P energy: -97.817 tors. eta vs tors. theta energy: -220.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2274.678423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.678423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.678423 (E_RNA) where: Base-Base interactions energy: -1511.863 where: short stacking energy: -640.867 Base-Backbone interact. energy: 2.794 local terms energy: -765.609536 where: bonds (distance) C4'-P energy: -149.836 bonds (distance) P-C4' energy: -161.601 flat angles C4'-P-C4' energy: -179.343 flat angles P-C4'-P energy: -118.481 tors. eta vs tors. theta energy: -156.349 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: 354 Temperature: 1.100000 Total energy: -2200.700260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.700260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.700260 (E_RNA) where: Base-Base interactions energy: -1476.543 where: short stacking energy: -669.012 Base-Backbone interact. energy: -5.209 local terms energy: -718.947720 where: bonds (distance) C4'-P energy: -133.014 bonds (distance) P-C4' energy: -146.135 flat angles C4'-P-C4' energy: -155.667 flat angles P-C4'-P energy: -103.681 tors. eta vs tors. theta energy: -180.450 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: 5 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1965.554982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.554982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.554982 (E_RNA) where: Base-Base interactions energy: -1271.683 where: short stacking energy: -563.558 Base-Backbone interact. energy: -4.652 local terms energy: -689.220506 where: bonds (distance) C4'-P energy: -159.076 bonds (distance) P-C4' energy: -151.159 flat angles C4'-P-C4' energy: -161.029 flat angles P-C4'-P energy: -93.003 tors. eta vs tors. theta energy: -124.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1528.870584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.870584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.870584 (E_RNA) where: Base-Base interactions energy: -943.914 where: short stacking energy: -432.603 Base-Backbone interact. energy: -1.996 local terms energy: -582.960241 where: bonds (distance) C4'-P energy: -122.628 bonds (distance) P-C4' energy: -141.156 flat angles C4'-P-C4' energy: -139.436 flat angles P-C4'-P energy: -86.741 tors. eta vs tors. theta energy: -92.999 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: 7 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1407.046688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.046688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.046688 (E_RNA) where: Base-Base interactions energy: -878.899 where: short stacking energy: -409.715 Base-Backbone interact. energy: 2.803 local terms energy: -530.950464 where: bonds (distance) C4'-P energy: -126.196 bonds (distance) P-C4' energy: -135.827 flat angles C4'-P-C4' energy: -132.366 flat angles P-C4'-P energy: -64.389 tors. eta vs tors. theta energy: -72.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -813.877924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.877924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.877924 (E_RNA) where: Base-Base interactions energy: -319.053 where: short stacking energy: -220.846 Base-Backbone interact. energy: -0.003 local terms energy: -494.821625 where: bonds (distance) C4'-P energy: -149.153 bonds (distance) P-C4' energy: -154.849 flat angles C4'-P-C4' energy: -117.229 flat angles P-C4'-P energy: -72.707 tors. eta vs tors. theta energy: -0.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -694.545803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.545803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.545803 (E_RNA) where: Base-Base interactions energy: -262.593 where: short stacking energy: -212.389 Base-Backbone interact. energy: 1.361 local terms energy: -433.314327 where: bonds (distance) C4'-P energy: -125.842 bonds (distance) P-C4' energy: -152.075 flat angles C4'-P-C4' energy: -108.581 flat angles P-C4'-P energy: -62.817 tors. eta vs tors. theta energy: 16.001 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: 1 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2702.158889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.158889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.158889 (E_RNA) where: Base-Base interactions energy: -1832.157 where: short stacking energy: -838.574 Base-Backbone interact. energy: -1.167 local terms energy: -868.835485 where: bonds (distance) C4'-P energy: -162.211 bonds (distance) P-C4' energy: -151.127 flat angles C4'-P-C4' energy: -182.972 flat angles P-C4'-P energy: -118.661 tors. eta vs tors. theta energy: -253.866 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: 2, replica: 3 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2677.364693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.364693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.364693 (E_RNA) where: Base-Base interactions energy: -1826.097 where: short stacking energy: -801.589 Base-Backbone interact. energy: -3.402 local terms energy: -847.866078 where: bonds (distance) C4'-P energy: -153.197 bonds (distance) P-C4' energy: -164.027 flat angles C4'-P-C4' energy: -189.873 flat angles P-C4'-P energy: -117.915 tors. eta vs tors. theta energy: -222.854 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: 355 Temperature: 1.000000 Total energy: -2554.681713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.681713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.681713 (E_RNA) where: Base-Base interactions energy: -1710.803 where: short stacking energy: -758.504 Base-Backbone interact. energy: -4.194 local terms energy: -839.684571 where: bonds (distance) C4'-P energy: -146.687 bonds (distance) P-C4' energy: -160.892 flat angles C4'-P-C4' energy: -181.846 flat angles P-C4'-P energy: -131.004 tors. eta vs tors. theta energy: -219.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2299.552852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.552852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.552852 (E_RNA) where: Base-Base interactions energy: -1544.811 where: short stacking energy: -661.928 Base-Backbone interact. energy: 1.968 local terms energy: -756.709573 where: bonds (distance) C4'-P energy: -152.830 bonds (distance) P-C4' energy: -149.827 flat angles C4'-P-C4' energy: -175.609 flat angles P-C4'-P energy: -103.331 tors. eta vs tors. theta energy: -175.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2203.602823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.602823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.602823 (E_RNA) where: Base-Base interactions energy: -1494.389 where: short stacking energy: -647.137 Base-Backbone interact. energy: -2.401 local terms energy: -706.813569 where: bonds (distance) C4'-P energy: -129.535 bonds (distance) P-C4' energy: -142.890 flat angles C4'-P-C4' energy: -168.611 flat angles P-C4'-P energy: -93.984 tors. eta vs tors. theta energy: -171.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1961.298501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.298501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.298501 (E_RNA) where: Base-Base interactions energy: -1291.388 where: short stacking energy: -575.727 Base-Backbone interact. energy: -1.789 local terms energy: -668.121577 where: bonds (distance) C4'-P energy: -146.488 bonds (distance) P-C4' energy: -154.855 flat angles C4'-P-C4' energy: -143.613 flat angles P-C4'-P energy: -91.750 tors. eta vs tors. theta energy: -131.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1452.091833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.091833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.091833 (E_RNA) where: Base-Base interactions energy: -866.683 where: short stacking energy: -435.583 Base-Backbone interact. energy: -1.684 local terms energy: -583.724762 where: bonds (distance) C4'-P energy: -121.997 bonds (distance) P-C4' energy: -140.928 flat angles C4'-P-C4' energy: -149.295 flat angles P-C4'-P energy: -87.334 tors. eta vs tors. theta energy: -84.170 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: 7 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1445.236829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.236829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.236829 (E_RNA) where: Base-Base interactions energy: -861.709 where: short stacking energy: -407.492 Base-Backbone interact. energy: 0.196 local terms energy: -583.723827 where: bonds (distance) C4'-P energy: -155.307 bonds (distance) P-C4' energy: -137.738 flat angles C4'-P-C4' energy: -140.420 flat angles P-C4'-P energy: -76.670 tors. eta vs tors. theta energy: -73.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -795.120534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.120534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.120534 (E_RNA) where: Base-Base interactions energy: -368.547 where: short stacking energy: -237.260 Base-Backbone interact. energy: -1.272 local terms energy: -425.301323 where: bonds (distance) C4'-P energy: -116.799 bonds (distance) P-C4' energy: -119.720 flat angles C4'-P-C4' energy: -120.462 flat angles P-C4'-P energy: -79.560 tors. eta vs tors. theta energy: 11.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -651.535034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.535034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.535034 (E_RNA) where: Base-Base interactions energy: -267.707 where: short stacking energy: -193.914 Base-Backbone interact. energy: -0.460 local terms energy: -383.367801 where: bonds (distance) C4'-P energy: -104.775 bonds (distance) P-C4' energy: -134.252 flat angles C4'-P-C4' energy: -114.075 flat angles P-C4'-P energy: -61.922 tors. eta vs tors. theta energy: 31.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2701.947838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.947838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.947838 (E_RNA) where: Base-Base interactions energy: -1866.481 where: short stacking energy: -830.181 Base-Backbone interact. energy: -4.484 local terms energy: -830.983182 where: bonds (distance) C4'-P energy: -164.030 bonds (distance) P-C4' energy: -156.825 flat angles C4'-P-C4' energy: -171.298 flat angles P-C4'-P energy: -111.369 tors. eta vs tors. theta energy: -227.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2582.684076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.684076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.684076 (E_RNA) where: Base-Base interactions energy: -1697.388 where: short stacking energy: -765.680 Base-Backbone interact. energy: -5.351 local terms energy: -879.945175 where: bonds (distance) C4'-P energy: -159.021 bonds (distance) P-C4' energy: -159.624 flat angles C4'-P-C4' energy: -186.264 flat angles P-C4'-P energy: -136.142 tors. eta vs tors. theta energy: -238.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2508.361015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.361015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.361015 (E_RNA) where: Base-Base interactions energy: -1704.182 where: short stacking energy: -728.427 Base-Backbone interact. energy: 6.188 local terms energy: -810.367204 where: bonds (distance) C4'-P energy: -147.069 bonds (distance) P-C4' energy: -160.983 flat angles C4'-P-C4' energy: -180.361 flat angles P-C4'-P energy: -112.745 tors. eta vs tors. theta energy: -209.209 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: 9 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2302.600076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.600076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.600076 (E_RNA) where: Base-Base interactions energy: -1522.724 where: short stacking energy: -664.469 Base-Backbone interact. energy: -3.415 local terms energy: -776.461110 where: bonds (distance) C4'-P energy: -152.923 bonds (distance) P-C4' energy: -150.436 flat angles C4'-P-C4' energy: -176.086 flat angles P-C4'-P energy: -119.350 tors. eta vs tors. theta energy: -177.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2220.248200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.248200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.248200 (E_RNA) where: Base-Base interactions energy: -1497.755 where: short stacking energy: -639.885 Base-Backbone interact. energy: -4.628 local terms energy: -717.865458 where: bonds (distance) C4'-P energy: -127.385 bonds (distance) P-C4' energy: -146.612 flat angles C4'-P-C4' energy: -169.409 flat angles P-C4'-P energy: -106.578 tors. eta vs tors. theta energy: -167.881 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: 356 Temperature: 1.150000 Total energy: -1941.824290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.824290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.824290 (E_RNA) where: Base-Base interactions energy: -1271.342 where: short stacking energy: -562.395 Base-Backbone interact. energy: -2.690 local terms energy: -667.792453 where: bonds (distance) C4'-P energy: -141.677 bonds (distance) P-C4' energy: -156.416 flat angles C4'-P-C4' energy: -160.872 flat angles P-C4'-P energy: -89.057 tors. eta vs tors. theta energy: -119.770 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: 7 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1507.346968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.346968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.346968 (E_RNA) where: Base-Base interactions energy: -934.507 where: short stacking energy: -467.329 Base-Backbone interact. energy: -1.555 local terms energy: -571.285125 where: bonds (distance) C4'-P energy: -128.966 bonds (distance) P-C4' energy: -135.383 flat angles C4'-P-C4' energy: -136.762 flat angles P-C4'-P energy: -68.783 tors. eta vs tors. theta energy: -101.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1410.054840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.054840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.054840 (E_RNA) where: Base-Base interactions energy: -871.160 where: short stacking energy: -408.506 Base-Backbone interact. energy: 0.080 local terms energy: -538.974198 where: bonds (distance) C4'-P energy: -119.558 bonds (distance) P-C4' energy: -139.921 flat angles C4'-P-C4' energy: -136.046 flat angles P-C4'-P energy: -82.184 tors. eta vs tors. theta energy: -61.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -797.697839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.697839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.697839 (E_RNA) where: Base-Base interactions energy: -379.254 where: short stacking energy: -257.410 Base-Backbone interact. energy: 3.322 local terms energy: -421.765692 where: bonds (distance) C4'-P energy: -134.408 bonds (distance) P-C4' energy: -121.459 flat angles C4'-P-C4' energy: -108.495 flat angles P-C4'-P energy: -64.390 tors. eta vs tors. theta energy: 6.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -611.142161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.142161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.142161 (E_RNA) where: Base-Base interactions energy: -203.915 where: short stacking energy: -160.266 Base-Backbone interact. energy: 2.035 local terms energy: -409.262129 where: bonds (distance) C4'-P energy: -145.432 bonds (distance) P-C4' energy: -144.715 flat angles C4'-P-C4' energy: -98.524 flat angles P-C4'-P energy: -65.243 tors. eta vs tors. theta energy: 44.652 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: 357 Temperature: 0.900000 Total energy: -2704.556496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.556496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.556496 (E_RNA) where: Base-Base interactions energy: -1854.612 where: short stacking energy: -797.088 Base-Backbone interact. energy: 0.023 local terms energy: -849.967499 where: bonds (distance) C4'-P energy: -169.670 bonds (distance) P-C4' energy: -161.973 flat angles C4'-P-C4' energy: -179.305 flat angles P-C4'-P energy: -128.822 tors. eta vs tors. theta energy: -210.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2621.793386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.793386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.793386 (E_RNA) where: Base-Base interactions energy: -1770.742 where: short stacking energy: -802.910 Base-Backbone interact. energy: -1.306 local terms energy: -849.745152 where: bonds (distance) C4'-P energy: -153.703 bonds (distance) P-C4' energy: -147.825 flat angles C4'-P-C4' energy: -181.413 flat angles P-C4'-P energy: -127.294 tors. eta vs tors. theta energy: -239.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2451.424548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.424548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.424548 (E_RNA) where: Base-Base interactions energy: -1646.006 where: short stacking energy: -722.826 Base-Backbone interact. energy: -2.500 local terms energy: -802.918552 where: bonds (distance) C4'-P energy: -164.136 bonds (distance) P-C4' energy: -146.727 flat angles C4'-P-C4' energy: -168.472 flat angles P-C4'-P energy: -119.266 tors. eta vs tors. theta energy: -204.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2289.539009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.539009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.539009 (E_RNA) where: Base-Base interactions energy: -1540.475 where: short stacking energy: -654.296 Base-Backbone interact. energy: -2.910 local terms energy: -746.153903 where: bonds (distance) C4'-P energy: -153.792 bonds (distance) P-C4' energy: -151.507 flat angles C4'-P-C4' energy: -164.002 flat angles P-C4'-P energy: -104.913 tors. eta vs tors. theta energy: -171.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2212.760842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.760842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.760842 (E_RNA) where: Base-Base interactions energy: -1493.171 where: short stacking energy: -645.943 Base-Backbone interact. energy: -0.650 local terms energy: -718.938970 where: bonds (distance) C4'-P energy: -133.458 bonds (distance) P-C4' energy: -157.094 flat angles C4'-P-C4' energy: -153.363 flat angles P-C4'-P energy: -109.395 tors. eta vs tors. theta energy: -165.629 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: 6, replica: 5 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1913.730538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.730538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.730538 (E_RNA) where: Base-Base interactions energy: -1251.815 where: short stacking energy: -562.637 Base-Backbone interact. energy: 3.892 local terms energy: -665.807654 where: bonds (distance) C4'-P energy: -121.072 bonds (distance) P-C4' energy: -152.234 flat angles C4'-P-C4' energy: -160.165 flat angles P-C4'-P energy: -96.130 tors. eta vs tors. theta energy: -136.207 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: 7 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1535.958360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.958360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.958360 (E_RNA) where: Base-Base interactions energy: -962.149 where: short stacking energy: -470.522 Base-Backbone interact. energy: -0.255 local terms energy: -573.554154 where: bonds (distance) C4'-P energy: -127.145 bonds (distance) P-C4' energy: -139.566 flat angles C4'-P-C4' energy: -130.194 flat angles P-C4'-P energy: -78.668 tors. eta vs tors. theta energy: -97.981 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: 8 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1392.485477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.485477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.485477 (E_RNA) where: Base-Base interactions energy: -856.662 where: short stacking energy: -410.321 Base-Backbone interact. energy: -3.939 local terms energy: -531.884517 where: bonds (distance) C4'-P energy: -111.550 bonds (distance) P-C4' energy: -128.426 flat angles C4'-P-C4' energy: -146.205 flat angles P-C4'-P energy: -86.634 tors. eta vs tors. theta energy: -59.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -805.732514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.732514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.732514 (E_RNA) where: Base-Base interactions energy: -354.343 where: short stacking energy: -237.812 Base-Backbone interact. energy: 1.256 local terms energy: -452.646286 where: bonds (distance) C4'-P energy: -116.662 bonds (distance) P-C4' energy: -133.767 flat angles C4'-P-C4' energy: -123.576 flat angles P-C4'-P energy: -78.933 tors. eta vs tors. theta energy: 0.292 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: 10 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -641.709473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.709473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.709473 (E_RNA) where: Base-Base interactions energy: -249.261 where: short stacking energy: -180.819 Base-Backbone interact. energy: 4.120 local terms energy: -396.567716 where: bonds (distance) C4'-P energy: -128.873 bonds (distance) P-C4' energy: -128.141 flat angles C4'-P-C4' energy: -114.394 flat angles P-C4'-P energy: -58.810 tors. eta vs tors. theta energy: 33.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2743.420754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.420754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.420754 (E_RNA) where: Base-Base interactions energy: -1875.573 where: short stacking energy: -800.435 Base-Backbone interact. energy: -4.452 local terms energy: -863.395426 where: bonds (distance) C4'-P energy: -162.835 bonds (distance) P-C4' energy: -164.239 flat angles C4'-P-C4' energy: -174.941 flat angles P-C4'-P energy: -129.081 tors. eta vs tors. theta energy: -232.298 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: 1 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2636.002071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.002071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.002071 (E_RNA) where: Base-Base interactions energy: -1757.909 where: short stacking energy: -793.780 Base-Backbone interact. energy: -5.393 local terms energy: -872.699894 where: bonds (distance) C4'-P energy: -165.200 bonds (distance) P-C4' energy: -178.837 flat angles C4'-P-C4' energy: -176.748 flat angles P-C4'-P energy: -125.601 tors. eta vs tors. theta energy: -226.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2521.317214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.317214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.317214 (E_RNA) where: Base-Base interactions energy: -1717.241 where: short stacking energy: -762.820 Base-Backbone interact. energy: -1.883 local terms energy: -802.192960 where: bonds (distance) C4'-P energy: -159.059 bonds (distance) P-C4' energy: -154.856 flat angles C4'-P-C4' energy: -153.919 flat angles P-C4'-P energy: -123.429 tors. eta vs tors. theta energy: -210.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2315.146734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.146734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.146734 (E_RNA) where: Base-Base interactions energy: -1538.494 where: short stacking energy: -694.707 Base-Backbone interact. energy: -3.117 local terms energy: -773.535636 where: bonds (distance) C4'-P energy: -142.289 bonds (distance) P-C4' energy: -152.258 flat angles C4'-P-C4' energy: -163.139 flat angles P-C4'-P energy: -124.835 tors. eta vs tors. theta energy: -191.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2215.162153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.162153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.162153 (E_RNA) where: Base-Base interactions energy: -1472.554 where: short stacking energy: -672.555 Base-Backbone interact. energy: 2.707 local terms energy: -745.315278 where: bonds (distance) C4'-P energy: -144.139 bonds (distance) P-C4' energy: -152.699 flat angles C4'-P-C4' energy: -170.101 flat angles P-C4'-P energy: -95.974 tors. eta vs tors. theta energy: -182.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1935.452285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.452285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.452285 (E_RNA) where: Base-Base interactions energy: -1260.395 where: short stacking energy: -563.854 Base-Backbone interact. energy: 1.095 local terms energy: -676.152173 where: bonds (distance) C4'-P energy: -123.955 bonds (distance) P-C4' energy: -153.904 flat angles C4'-P-C4' energy: -153.901 flat angles P-C4'-P energy: -98.383 tors. eta vs tors. theta energy: -146.008 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: 7 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1517.157159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.157159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.157159 (E_RNA) where: Base-Base interactions energy: -925.728 where: short stacking energy: -466.120 Base-Backbone interact. energy: -2.877 local terms energy: -588.551908 where: bonds (distance) C4'-P energy: -126.140 bonds (distance) P-C4' energy: -126.428 flat angles C4'-P-C4' energy: -150.235 flat angles P-C4'-P energy: -96.285 tors. eta vs tors. theta energy: -89.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1381.012473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.012473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.012473 (E_RNA) where: Base-Base interactions energy: -847.995 where: short stacking energy: -415.202 Base-Backbone interact. energy: -1.169 local terms energy: -531.848818 where: bonds (distance) C4'-P energy: -143.101 bonds (distance) P-C4' energy: -134.059 flat angles C4'-P-C4' energy: -135.146 flat angles P-C4'-P energy: -71.714 tors. eta vs tors. theta energy: -47.829 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: 6 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -762.671627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.671627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.671627 (E_RNA) where: Base-Base interactions energy: -344.542 where: short stacking energy: -239.181 Base-Backbone interact. energy: 5.081 local terms energy: -423.210793 where: bonds (distance) C4'-P energy: -138.000 bonds (distance) P-C4' energy: -123.457 flat angles C4'-P-C4' energy: -116.487 flat angles P-C4'-P energy: -57.247 tors. eta vs tors. theta energy: 11.980 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: 10, replica: 10 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -621.862171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.862171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.862171 (E_RNA) where: Base-Base interactions energy: -241.427 where: short stacking energy: -183.089 Base-Backbone interact. energy: 5.053 local terms energy: -385.488644 where: bonds (distance) C4'-P energy: -123.896 bonds (distance) P-C4' energy: -145.854 flat angles C4'-P-C4' energy: -94.106 flat angles P-C4'-P energy: -61.939 tors. eta vs tors. theta energy: 40.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2732.830551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.830551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.830551 (E_RNA) where: Base-Base interactions energy: -1848.972 where: short stacking energy: -846.183 Base-Backbone interact. energy: -1.247 local terms energy: -882.612269 where: bonds (distance) C4'-P energy: -150.642 bonds (distance) P-C4' energy: -173.109 flat angles C4'-P-C4' energy: -191.065 flat angles P-C4'-P energy: -123.221 tors. eta vs tors. theta energy: -244.575 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: 2, replica: 1 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2633.541428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.541428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.541428 (E_RNA) where: Base-Base interactions energy: -1755.558 where: short stacking energy: -771.571 Base-Backbone interact. energy: -3.123 local terms energy: -874.860561 where: bonds (distance) C4'-P energy: -167.388 bonds (distance) P-C4' energy: -163.838 flat angles C4'-P-C4' energy: -192.432 flat angles P-C4'-P energy: -119.591 tors. eta vs tors. theta energy: -231.611 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: 2 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2572.919694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.919694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.919694 (E_RNA) where: Base-Base interactions energy: -1758.875 where: short stacking energy: -762.547 Base-Backbone interact. energy: 0.192 local terms energy: -814.236741 where: bonds (distance) C4'-P energy: -151.237 bonds (distance) P-C4' energy: -152.096 flat angles C4'-P-C4' energy: -176.343 flat angles P-C4'-P energy: -125.586 tors. eta vs tors. theta energy: -208.975 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: 9 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2312.577075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.577075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.577075 (E_RNA) where: Base-Base interactions energy: -1543.775 where: short stacking energy: -688.343 Base-Backbone interact. energy: -2.221 local terms energy: -766.580790 where: bonds (distance) C4'-P energy: -148.365 bonds (distance) P-C4' energy: -153.364 flat angles C4'-P-C4' energy: -172.897 flat angles P-C4'-P energy: -111.454 tors. eta vs tors. theta energy: -180.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2164.386475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.386475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.386475 (E_RNA) where: Base-Base interactions energy: -1463.757 where: short stacking energy: -652.481 Base-Backbone interact. energy: -6.446 local terms energy: -694.183149 where: bonds (distance) C4'-P energy: -151.356 bonds (distance) P-C4' energy: -130.326 flat angles C4'-P-C4' energy: -149.246 flat angles P-C4'-P energy: -93.680 tors. eta vs tors. theta energy: -169.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1868.101331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.101331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.101331 (E_RNA) where: Base-Base interactions energy: -1234.395 where: short stacking energy: -541.275 Base-Backbone interact. energy: -3.164 local terms energy: -630.541917 where: bonds (distance) C4'-P energy: -135.318 bonds (distance) P-C4' energy: -132.594 flat angles C4'-P-C4' energy: -150.974 flat angles P-C4'-P energy: -81.116 tors. eta vs tors. theta energy: -130.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1565.632390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.632390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.632390 (E_RNA) where: Base-Base interactions energy: -993.771 where: short stacking energy: -471.220 Base-Backbone interact. energy: 0.651 local terms energy: -572.513049 where: bonds (distance) C4'-P energy: -128.450 bonds (distance) P-C4' energy: -150.558 flat angles C4'-P-C4' energy: -124.216 flat angles P-C4'-P energy: -68.896 tors. eta vs tors. theta energy: -100.393 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: 8 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1347.603258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.603258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.603258 (E_RNA) where: Base-Base interactions energy: -816.430 where: short stacking energy: -400.904 Base-Backbone interact. energy: -4.238 local terms energy: -526.935654 where: bonds (distance) C4'-P energy: -133.872 bonds (distance) P-C4' energy: -130.489 flat angles C4'-P-C4' energy: -109.623 flat angles P-C4'-P energy: -80.613 tors. eta vs tors. theta energy: -72.339 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: 9, replica: 6 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -749.839754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.839754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.839754 (E_RNA) where: Base-Base interactions energy: -302.901 where: short stacking energy: -217.937 Base-Backbone interact. energy: 5.023 local terms energy: -451.962065 where: bonds (distance) C4'-P energy: -109.900 bonds (distance) P-C4' energy: -153.422 flat angles C4'-P-C4' energy: -128.593 flat angles P-C4'-P energy: -66.072 tors. eta vs tors. theta energy: 6.024 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: 10 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -661.626743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.626743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.626743 (E_RNA) where: Base-Base interactions energy: -238.599 where: short stacking energy: -204.355 Base-Backbone interact. energy: 2.394 local terms energy: -425.421634 where: bonds (distance) C4'-P energy: -121.432 bonds (distance) P-C4' energy: -149.595 flat angles C4'-P-C4' energy: -106.809 flat angles P-C4'-P energy: -79.929 tors. eta vs tors. theta energy: 32.344 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: 1, replica: 3 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2694.416684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.416684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.416684 (E_RNA) where: Base-Base interactions energy: -1805.065 where: short stacking energy: -801.072 Base-Backbone interact. energy: -7.054 local terms energy: -882.298382 where: bonds (distance) C4'-P energy: -160.344 bonds (distance) P-C4' energy: -179.317 flat angles C4'-P-C4' energy: -184.105 flat angles P-C4'-P energy: -124.577 tors. eta vs tors. theta energy: -233.956 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: 1 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2666.279419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.279419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.279419 (E_RNA) where: Base-Base interactions energy: -1814.769 where: short stacking energy: -801.675 Base-Backbone interact. energy: -2.604 local terms energy: -848.906366 where: bonds (distance) C4'-P energy: -150.402 bonds (distance) P-C4' energy: -160.371 flat angles C4'-P-C4' energy: -180.459 flat angles P-C4'-P energy: -119.679 tors. eta vs tors. theta energy: -237.995 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: 2 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2538.333287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.333287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.333287 (E_RNA) where: Base-Base interactions energy: -1746.755 where: short stacking energy: -736.777 Base-Backbone interact. energy: -3.960 local terms energy: -787.618316 where: bonds (distance) C4'-P energy: -156.470 bonds (distance) P-C4' energy: -138.532 flat angles C4'-P-C4' energy: -165.447 flat angles P-C4'-P energy: -110.181 tors. eta vs tors. theta energy: -216.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2314.469114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.469114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.469114 (E_RNA) where: Base-Base interactions energy: -1532.663 where: short stacking energy: -655.060 Base-Backbone interact. energy: 0.021 local terms energy: -781.827146 where: bonds (distance) C4'-P energy: -157.827 bonds (distance) P-C4' energy: -160.606 flat angles C4'-P-C4' energy: -172.315 flat angles P-C4'-P energy: -111.286 tors. eta vs tors. theta energy: -179.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2172.917624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.917624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.917624 (E_RNA) where: Base-Base interactions energy: -1476.648 where: short stacking energy: -646.784 Base-Backbone interact. energy: -3.615 local terms energy: -692.654695 where: bonds (distance) C4'-P energy: -139.779 bonds (distance) P-C4' energy: -132.931 flat angles C4'-P-C4' energy: -158.112 flat angles P-C4'-P energy: -112.306 tors. eta vs tors. theta energy: -149.527 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: 5 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1859.089040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.089040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.089040 (E_RNA) where: Base-Base interactions energy: -1226.046 where: short stacking energy: -548.951 Base-Backbone interact. energy: -3.523 local terms energy: -629.519405 where: bonds (distance) C4'-P energy: -132.859 bonds (distance) P-C4' energy: -128.579 flat angles C4'-P-C4' energy: -146.447 flat angles P-C4'-P energy: -87.844 tors. eta vs tors. theta energy: -133.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1545.000094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.000094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.000094 (E_RNA) where: Base-Base interactions energy: -938.583 where: short stacking energy: -455.939 Base-Backbone interact. energy: 0.350 local terms energy: -606.767643 where: bonds (distance) C4'-P energy: -128.971 bonds (distance) P-C4' energy: -131.452 flat angles C4'-P-C4' energy: -149.239 flat angles P-C4'-P energy: -100.959 tors. eta vs tors. theta energy: -96.147 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: 8 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1284.708677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.708677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.708677 (E_RNA) where: Base-Base interactions energy: -755.341 where: short stacking energy: -353.132 Base-Backbone interact. energy: -4.197 local terms energy: -525.170861 where: bonds (distance) C4'-P energy: -134.966 bonds (distance) P-C4' energy: -140.549 flat angles C4'-P-C4' energy: -132.891 flat angles P-C4'-P energy: -71.506 tors. eta vs tors. theta energy: -45.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -890.442321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.442321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.442321 (E_RNA) where: Base-Base interactions energy: -418.729 where: short stacking energy: -246.591 Base-Backbone interact. energy: 3.029 local terms energy: -474.742087 where: bonds (distance) C4'-P energy: -145.352 bonds (distance) P-C4' energy: -142.211 flat angles C4'-P-C4' energy: -99.031 flat angles P-C4'-P energy: -93.688 tors. eta vs tors. theta energy: 5.539 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: 10 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -598.729660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.729660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.729660 (E_RNA) where: Base-Base interactions energy: -211.932 where: short stacking energy: -193.293 Base-Backbone interact. energy: 4.530 local terms energy: -391.327094 where: bonds (distance) C4'-P energy: -137.282 bonds (distance) P-C4' energy: -132.204 flat angles C4'-P-C4' energy: -99.805 flat angles P-C4'-P energy: -44.873 tors. eta vs tors. theta energy: 22.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2725.392373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.392373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.392373 (E_RNA) where: Base-Base interactions energy: -1827.456 where: short stacking energy: -816.116 Base-Backbone interact. energy: -6.283 local terms energy: -891.653867 where: bonds (distance) C4'-P energy: -159.321 bonds (distance) P-C4' energy: -177.533 flat angles C4'-P-C4' energy: -193.327 flat angles P-C4'-P energy: -129.557 tors. eta vs tors. theta energy: -231.916 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: 2, replica: 1 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2659.616759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.616759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.616759 (E_RNA) where: Base-Base interactions energy: -1825.258 where: short stacking energy: -826.432 Base-Backbone interact. energy: -3.429 local terms energy: -830.930571 where: bonds (distance) C4'-P energy: -145.486 bonds (distance) P-C4' energy: -146.218 flat angles C4'-P-C4' energy: -174.076 flat angles P-C4'-P energy: -112.884 tors. eta vs tors. theta energy: -252.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2540.477627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.477627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.477627 (E_RNA) where: Base-Base interactions energy: -1748.687 where: short stacking energy: -765.386 Base-Backbone interact. energy: -4.324 local terms energy: -787.466092 where: bonds (distance) C4'-P energy: -148.563 bonds (distance) P-C4' energy: -142.556 flat angles C4'-P-C4' energy: -167.545 flat angles P-C4'-P energy: -105.340 tors. eta vs tors. theta energy: -223.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2344.323558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.323558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.323558 (E_RNA) where: Base-Base interactions energy: -1581.740 where: short stacking energy: -666.214 Base-Backbone interact. energy: -0.034 local terms energy: -762.549583 where: bonds (distance) C4'-P energy: -153.018 bonds (distance) P-C4' energy: -150.944 flat angles C4'-P-C4' energy: -170.754 flat angles P-C4'-P energy: -112.563 tors. eta vs tors. theta energy: -175.270 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: 5, replica: 4 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2190.199932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.199932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.199932 (E_RNA) where: Base-Base interactions energy: -1458.540 where: short stacking energy: -643.681 Base-Backbone interact. energy: -0.960 local terms energy: -730.699776 where: bonds (distance) C4'-P energy: -134.553 bonds (distance) P-C4' energy: -148.662 flat angles C4'-P-C4' energy: -169.088 flat angles P-C4'-P energy: -92.506 tors. eta vs tors. theta energy: -185.891 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: 5 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1910.702750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.702750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.702750 (E_RNA) where: Base-Base interactions energy: -1236.010 where: short stacking energy: -531.935 Base-Backbone interact. energy: -4.218 local terms energy: -670.474834 where: bonds (distance) C4'-P energy: -137.991 bonds (distance) P-C4' energy: -166.891 flat angles C4'-P-C4' energy: -164.929 flat angles P-C4'-P energy: -84.508 tors. eta vs tors. theta energy: -116.157 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: 7 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1496.805438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.805438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.805438 (E_RNA) where: Base-Base interactions energy: -893.352 where: short stacking energy: -451.346 Base-Backbone interact. energy: -3.419 local terms energy: -600.034781 where: bonds (distance) C4'-P energy: -130.172 bonds (distance) P-C4' energy: -155.879 flat angles C4'-P-C4' energy: -133.529 flat angles P-C4'-P energy: -88.725 tors. eta vs tors. theta energy: -91.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1264.289044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.289044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.289044 (E_RNA) where: Base-Base interactions energy: -761.473 where: short stacking energy: -390.869 Base-Backbone interact. energy: 1.755 local terms energy: -504.571021 where: bonds (distance) C4'-P energy: -135.370 bonds (distance) P-C4' energy: -120.518 flat angles C4'-P-C4' energy: -120.640 flat angles P-C4'-P energy: -74.954 tors. eta vs tors. theta energy: -53.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -884.821004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.821004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.821004 (E_RNA) where: Base-Base interactions energy: -424.533 where: short stacking energy: -232.898 Base-Backbone interact. energy: 0.044 local terms energy: -460.331983 where: bonds (distance) C4'-P energy: -133.047 bonds (distance) P-C4' energy: -123.137 flat angles C4'-P-C4' energy: -125.896 flat angles P-C4'-P energy: -91.652 tors. eta vs tors. theta energy: 13.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -618.349292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.349292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.349292 (E_RNA) where: Base-Base interactions energy: -233.397 where: short stacking energy: -183.498 Base-Backbone interact. energy: 7.079 local terms energy: -392.030634 where: bonds (distance) C4'-P energy: -120.782 bonds (distance) P-C4' energy: -141.268 flat angles C4'-P-C4' energy: -103.918 flat angles P-C4'-P energy: -64.577 tors. eta vs tors. theta energy: 38.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2688.267046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.267046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.267046 (E_RNA) where: Base-Base interactions energy: -1808.225 where: short stacking energy: -782.491 Base-Backbone interact. energy: -5.045 local terms energy: -874.997292 where: bonds (distance) C4'-P energy: -154.796 bonds (distance) P-C4' energy: -170.862 flat angles C4'-P-C4' energy: -185.488 flat angles P-C4'-P energy: -131.961 tors. eta vs tors. theta energy: -231.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2641.539060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.539060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.539060 (E_RNA) where: Base-Base interactions energy: -1776.171 where: short stacking energy: -780.956 Base-Backbone interact. energy: -4.054 local terms energy: -861.313998 where: bonds (distance) C4'-P energy: -151.955 bonds (distance) P-C4' energy: -178.871 flat angles C4'-P-C4' energy: -178.251 flat angles P-C4'-P energy: -117.189 tors. eta vs tors. theta energy: -235.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2538.130835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.130835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.130835 (E_RNA) where: Base-Base interactions energy: -1729.380 where: short stacking energy: -734.905 Base-Backbone interact. energy: -5.610 local terms energy: -803.141129 where: bonds (distance) C4'-P energy: -148.287 bonds (distance) P-C4' energy: -165.530 flat angles C4'-P-C4' energy: -169.919 flat angles P-C4'-P energy: -122.347 tors. eta vs tors. theta energy: -197.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2395.132291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.132291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.132291 (E_RNA) where: Base-Base interactions energy: -1628.391 where: short stacking energy: -679.175 Base-Backbone interact. energy: 1.677 local terms energy: -768.418014 where: bonds (distance) C4'-P energy: -145.544 bonds (distance) P-C4' energy: -144.752 flat angles C4'-P-C4' energy: -165.963 flat angles P-C4'-P energy: -112.962 tors. eta vs tors. theta energy: -199.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2133.433026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.433026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.433026 (E_RNA) where: Base-Base interactions energy: -1414.499 where: short stacking energy: -628.956 Base-Backbone interact. energy: 1.417 local terms energy: -720.351479 where: bonds (distance) C4'-P energy: -143.562 bonds (distance) P-C4' energy: -138.709 flat angles C4'-P-C4' energy: -165.203 flat angles P-C4'-P energy: -104.532 tors. eta vs tors. theta energy: -168.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1931.528270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.528270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.528270 (E_RNA) where: Base-Base interactions energy: -1265.448 where: short stacking energy: -541.711 Base-Backbone interact. energy: -1.224 local terms energy: -664.856273 where: bonds (distance) C4'-P energy: -165.866 bonds (distance) P-C4' energy: -121.156 flat angles C4'-P-C4' energy: -150.378 flat angles P-C4'-P energy: -95.589 tors. eta vs tors. theta energy: -131.866 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: 7 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1539.513365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.513365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.513365 (E_RNA) where: Base-Base interactions energy: -962.766 where: short stacking energy: -476.276 Base-Backbone interact. energy: 1.430 local terms energy: -578.176807 where: bonds (distance) C4'-P energy: -139.578 bonds (distance) P-C4' energy: -134.735 flat angles C4'-P-C4' energy: -126.597 flat angles P-C4'-P energy: -87.131 tors. eta vs tors. theta energy: -90.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1262.736028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.736028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.736028 (E_RNA) where: Base-Base interactions energy: -731.589 where: short stacking energy: -361.656 Base-Backbone interact. energy: -1.783 local terms energy: -529.364382 where: bonds (distance) C4'-P energy: -138.342 bonds (distance) P-C4' energy: -133.089 flat angles C4'-P-C4' energy: -133.086 flat angles P-C4'-P energy: -68.383 tors. eta vs tors. theta energy: -56.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -866.880684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.880684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.880684 (E_RNA) where: Base-Base interactions energy: -422.661 where: short stacking energy: -252.405 Base-Backbone interact. energy: 3.745 local terms energy: -447.964138 where: bonds (distance) C4'-P energy: -89.834 bonds (distance) P-C4' energy: -150.093 flat angles C4'-P-C4' energy: -134.070 flat angles P-C4'-P energy: -78.721 tors. eta vs tors. theta energy: 4.754 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: 10, replica: 10 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -640.240363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.240363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.240363 (E_RNA) where: Base-Base interactions energy: -235.402 where: short stacking energy: -188.128 Base-Backbone interact. energy: 11.598 local terms energy: -416.436331 where: bonds (distance) C4'-P energy: -117.720 bonds (distance) P-C4' energy: -146.501 flat angles C4'-P-C4' energy: -113.557 flat angles P-C4'-P energy: -47.932 tors. eta vs tors. theta energy: 9.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2691.751616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.751616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.751616 (E_RNA) where: Base-Base interactions energy: -1849.879 where: short stacking energy: -814.281 Base-Backbone interact. energy: -5.108 local terms energy: -836.764800 where: bonds (distance) C4'-P energy: -146.847 bonds (distance) P-C4' energy: -166.353 flat angles C4'-P-C4' energy: -181.460 flat angles P-C4'-P energy: -127.270 tors. eta vs tors. theta energy: -214.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2582.418316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.418316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.418316 (E_RNA) where: Base-Base interactions energy: -1757.958 where: short stacking energy: -768.541 Base-Backbone interact. energy: -3.796 local terms energy: -820.664491 where: bonds (distance) C4'-P energy: -152.451 bonds (distance) P-C4' energy: -169.001 flat angles C4'-P-C4' energy: -171.434 flat angles P-C4'-P energy: -121.041 tors. eta vs tors. theta energy: -206.738 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: 3, replica: 1 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2527.319504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.319504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.319504 (E_RNA) where: Base-Base interactions energy: -1710.441 where: short stacking energy: -783.209 Base-Backbone interact. energy: -3.357 local terms energy: -813.520691 where: bonds (distance) C4'-P energy: -164.908 bonds (distance) P-C4' energy: -137.348 flat angles C4'-P-C4' energy: -185.057 flat angles P-C4'-P energy: -117.663 tors. eta vs tors. theta energy: -208.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2358.240556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.240556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.240556 (E_RNA) where: Base-Base interactions energy: -1574.302 where: short stacking energy: -684.837 Base-Backbone interact. energy: -4.902 local terms energy: -779.037295 where: bonds (distance) C4'-P energy: -148.665 bonds (distance) P-C4' energy: -144.783 flat angles C4'-P-C4' energy: -183.325 flat angles P-C4'-P energy: -107.086 tors. eta vs tors. theta energy: -195.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2205.816225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.816225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.816225 (E_RNA) where: Base-Base interactions energy: -1486.220 where: short stacking energy: -643.077 Base-Backbone interact. energy: -2.431 local terms energy: -717.164497 where: bonds (distance) C4'-P energy: -149.892 bonds (distance) P-C4' energy: -145.877 flat angles C4'-P-C4' energy: -162.084 flat angles P-C4'-P energy: -102.287 tors. eta vs tors. theta energy: -157.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1899.989567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.989567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.989567 (E_RNA) where: Base-Base interactions energy: -1248.400 where: short stacking energy: -546.400 Base-Backbone interact. energy: -2.917 local terms energy: -648.673247 where: bonds (distance) C4'-P energy: -138.511 bonds (distance) P-C4' energy: -137.943 flat angles C4'-P-C4' energy: -150.392 flat angles P-C4'-P energy: -98.582 tors. eta vs tors. theta energy: -123.246 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: 7 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1591.408786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.408786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.408786 (E_RNA) where: Base-Base interactions energy: -980.434 where: short stacking energy: -459.361 Base-Backbone interact. energy: 3.309 local terms energy: -614.283885 where: bonds (distance) C4'-P energy: -122.405 bonds (distance) P-C4' energy: -158.878 flat angles C4'-P-C4' energy: -137.601 flat angles P-C4'-P energy: -106.011 tors. eta vs tors. theta energy: -89.390 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: 8 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1357.222845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.222845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.222845 (E_RNA) where: Base-Base interactions energy: -861.538 where: short stacking energy: -403.414 Base-Backbone interact. energy: -0.447 local terms energy: -495.237082 where: bonds (distance) C4'-P energy: -127.461 bonds (distance) P-C4' energy: -141.664 flat angles C4'-P-C4' energy: -114.747 flat angles P-C4'-P energy: -56.107 tors. eta vs tors. theta energy: -55.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -913.311811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.311811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.311811 (E_RNA) where: Base-Base interactions energy: -460.820 where: short stacking energy: -268.791 Base-Backbone interact. energy: -1.454 local terms energy: -451.038303 where: bonds (distance) C4'-P energy: -140.701 bonds (distance) P-C4' energy: -137.892 flat angles C4'-P-C4' energy: -99.574 flat angles P-C4'-P energy: -65.629 tors. eta vs tors. theta energy: -7.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -641.355890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.355890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.355890 (E_RNA) where: Base-Base interactions energy: -220.307 where: short stacking energy: -171.948 Base-Backbone interact. energy: 2.925 local terms energy: -423.973516 where: bonds (distance) C4'-P energy: -121.798 bonds (distance) P-C4' energy: -154.354 flat angles C4'-P-C4' energy: -106.241 flat angles P-C4'-P energy: -62.000 tors. eta vs tors. theta energy: 20.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2687.990984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.990984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.990984 (E_RNA) where: Base-Base interactions energy: -1838.941 where: short stacking energy: -787.003 Base-Backbone interact. energy: -3.862 local terms energy: -845.188030 where: bonds (distance) C4'-P energy: -156.665 bonds (distance) P-C4' energy: -160.642 flat angles C4'-P-C4' energy: -184.121 flat angles P-C4'-P energy: -128.366 tors. eta vs tors. theta energy: -215.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2650.669247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.669247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.669247 (E_RNA) where: Base-Base interactions energy: -1818.634 where: short stacking energy: -777.531 Base-Backbone interact. energy: -2.788 local terms energy: -829.247853 where: bonds (distance) C4'-P energy: -166.041 bonds (distance) P-C4' energy: -153.626 flat angles C4'-P-C4' energy: -175.214 flat angles P-C4'-P energy: -122.260 tors. eta vs tors. theta energy: -212.107 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: 1 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2467.704597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.704597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.704597 (E_RNA) where: Base-Base interactions energy: -1648.714 where: short stacking energy: -722.521 Base-Backbone interact. energy: -3.749 local terms energy: -815.241627 where: bonds (distance) C4'-P energy: -143.954 bonds (distance) P-C4' energy: -157.078 flat angles C4'-P-C4' energy: -174.428 flat angles P-C4'-P energy: -123.734 tors. eta vs tors. theta energy: -216.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2417.208625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.208625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.208625 (E_RNA) where: Base-Base interactions energy: -1698.662 where: short stacking energy: -729.832 Base-Backbone interact. energy: -2.058 local terms energy: -716.488185 where: bonds (distance) C4'-P energy: -126.727 bonds (distance) P-C4' energy: -134.845 flat angles C4'-P-C4' energy: -168.704 flat angles P-C4'-P energy: -93.219 tors. eta vs tors. theta energy: -192.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2164.148803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.148803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.148803 (E_RNA) where: Base-Base interactions energy: -1425.402 where: short stacking energy: -654.268 Base-Backbone interact. energy: 0.697 local terms energy: -739.443833 where: bonds (distance) C4'-P energy: -145.086 bonds (distance) P-C4' energy: -162.764 flat angles C4'-P-C4' energy: -164.524 flat angles P-C4'-P energy: -105.430 tors. eta vs tors. theta energy: -161.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1910.708715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.708715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.708715 (E_RNA) where: Base-Base interactions energy: -1255.957 where: short stacking energy: -545.119 Base-Backbone interact. energy: -2.758 local terms energy: -651.994261 where: bonds (distance) C4'-P energy: -132.262 bonds (distance) P-C4' energy: -154.704 flat angles C4'-P-C4' energy: -137.464 flat angles P-C4'-P energy: -96.778 tors. eta vs tors. theta energy: -130.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1565.251603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.251603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.251603 (E_RNA) where: Base-Base interactions energy: -978.635 where: short stacking energy: -463.176 Base-Backbone interact. energy: -1.727 local terms energy: -584.889182 where: bonds (distance) C4'-P energy: -134.502 bonds (distance) P-C4' energy: -128.999 flat angles C4'-P-C4' energy: -144.478 flat angles P-C4'-P energy: -85.146 tors. eta vs tors. theta energy: -91.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1331.854431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.854431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.854431 (E_RNA) where: Base-Base interactions energy: -821.788 where: short stacking energy: -408.878 Base-Backbone interact. energy: -2.153 local terms energy: -507.913636 where: bonds (distance) C4'-P energy: -115.388 bonds (distance) P-C4' energy: -140.078 flat angles C4'-P-C4' energy: -120.349 flat angles P-C4'-P energy: -71.737 tors. eta vs tors. theta energy: -60.362 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: 6 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -938.995805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.995805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.995805 (E_RNA) where: Base-Base interactions energy: -494.591 where: short stacking energy: -268.726 Base-Backbone interact. energy: 0.030 local terms energy: -444.434722 where: bonds (distance) C4'-P energy: -133.901 bonds (distance) P-C4' energy: -110.349 flat angles C4'-P-C4' energy: -111.149 flat angles P-C4'-P energy: -80.216 tors. eta vs tors. theta energy: -8.819 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: 10 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -596.839386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.839386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.839386 (E_RNA) where: Base-Base interactions energy: -195.999 where: short stacking energy: -160.950 Base-Backbone interact. energy: -0.676 local terms energy: -400.164333 where: bonds (distance) C4'-P energy: -128.327 bonds (distance) P-C4' energy: -117.194 flat angles C4'-P-C4' energy: -114.185 flat angles P-C4'-P energy: -72.779 tors. eta vs tors. theta energy: 32.321 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: 365 Temperature: 0.900000 Total energy: -2696.238136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.238136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.238136 (E_RNA) where: Base-Base interactions energy: -1823.341 where: short stacking energy: -775.387 Base-Backbone interact. energy: -2.389 local terms energy: -870.507973 where: bonds (distance) C4'-P energy: -162.542 bonds (distance) P-C4' energy: -165.583 flat angles C4'-P-C4' energy: -185.243 flat angles P-C4'-P energy: -137.686 tors. eta vs tors. theta energy: -219.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2644.974422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.974422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.974422 (E_RNA) where: Base-Base interactions energy: -1836.290 where: short stacking energy: -785.769 Base-Backbone interact. energy: -3.192 local terms energy: -805.492540 where: bonds (distance) C4'-P energy: -147.993 bonds (distance) P-C4' energy: -156.900 flat angles C4'-P-C4' energy: -170.946 flat angles P-C4'-P energy: -122.010 tors. eta vs tors. theta energy: -207.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2522.395580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.395580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.395580 (E_RNA) where: Base-Base interactions energy: -1715.476 where: short stacking energy: -745.058 Base-Backbone interact. energy: -3.091 local terms energy: -803.828713 where: bonds (distance) C4'-P energy: -151.392 bonds (distance) P-C4' energy: -159.059 flat angles C4'-P-C4' energy: -171.438 flat angles P-C4'-P energy: -105.549 tors. eta vs tors. theta energy: -216.391 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: 9 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2426.268273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.268273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.268273 (E_RNA) where: Base-Base interactions energy: -1665.024 where: short stacking energy: -728.929 Base-Backbone interact. energy: -2.319 local terms energy: -758.924720 where: bonds (distance) C4'-P energy: -151.989 bonds (distance) P-C4' energy: -138.068 flat angles C4'-P-C4' energy: -165.237 flat angles P-C4'-P energy: -104.067 tors. eta vs tors. theta energy: -199.564 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: 4 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2212.415742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.415742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.415742 (E_RNA) where: Base-Base interactions energy: -1526.685 where: short stacking energy: -650.363 Base-Backbone interact. energy: -1.636 local terms energy: -684.094607 where: bonds (distance) C4'-P energy: -136.047 bonds (distance) P-C4' energy: -137.111 flat angles C4'-P-C4' energy: -145.595 flat angles P-C4'-P energy: -102.617 tors. eta vs tors. theta energy: -162.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1899.963032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.963032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.963032 (E_RNA) where: Base-Base interactions energy: -1254.939 where: short stacking energy: -561.719 Base-Backbone interact. energy: -4.837 local terms energy: -640.187513 where: bonds (distance) C4'-P energy: -127.733 bonds (distance) P-C4' energy: -159.935 flat angles C4'-P-C4' energy: -152.075 flat angles P-C4'-P energy: -75.319 tors. eta vs tors. theta energy: -125.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1578.532137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.532137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.532137 (E_RNA) where: Base-Base interactions energy: -966.249 where: short stacking energy: -464.502 Base-Backbone interact. energy: -2.929 local terms energy: -609.353738 where: bonds (distance) C4'-P energy: -147.749 bonds (distance) P-C4' energy: -139.173 flat angles C4'-P-C4' energy: -141.744 flat angles P-C4'-P energy: -74.951 tors. eta vs tors. theta energy: -105.736 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: 8 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1381.548101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.548101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.548101 (E_RNA) where: Base-Base interactions energy: -824.564 where: short stacking energy: -395.466 Base-Backbone interact. energy: -1.888 local terms energy: -555.095720 where: bonds (distance) C4'-P energy: -153.503 bonds (distance) P-C4' energy: -144.268 flat angles C4'-P-C4' energy: -126.263 flat angles P-C4'-P energy: -71.521 tors. eta vs tors. theta energy: -59.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -950.596596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.596596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.596596 (E_RNA) where: Base-Base interactions energy: -517.339 where: short stacking energy: -301.414 Base-Backbone interact. energy: -4.312 local terms energy: -428.945471 where: bonds (distance) C4'-P energy: -124.682 bonds (distance) P-C4' energy: -125.291 flat angles C4'-P-C4' energy: -105.977 flat angles P-C4'-P energy: -68.340 tors. eta vs tors. theta energy: -4.655 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: 10 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -616.506368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.506368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.506368 (E_RNA) where: Base-Base interactions energy: -231.457 where: short stacking energy: -182.388 Base-Backbone interact. energy: 0.239 local terms energy: -385.287844 where: bonds (distance) C4'-P energy: -134.835 bonds (distance) P-C4' energy: -128.292 flat angles C4'-P-C4' energy: -117.253 flat angles P-C4'-P energy: -31.336 tors. eta vs tors. theta energy: 26.428 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: 1, replica: 3 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2713.706428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.706428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.706428 (E_RNA) where: Base-Base interactions energy: -1863.803 where: short stacking energy: -781.780 Base-Backbone interact. energy: -3.451 local terms energy: -846.452283 where: bonds (distance) C4'-P energy: -164.867 bonds (distance) P-C4' energy: -157.946 flat angles C4'-P-C4' energy: -193.080 flat angles P-C4'-P energy: -116.995 tors. eta vs tors. theta energy: -213.564 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: 2, replica: 2 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2625.478243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.478243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.478243 (E_RNA) where: Base-Base interactions energy: -1802.230 where: short stacking energy: -781.197 Base-Backbone interact. energy: -3.417 local terms energy: -819.830785 where: bonds (distance) C4'-P energy: -152.479 bonds (distance) P-C4' energy: -152.942 flat angles C4'-P-C4' energy: -185.602 flat angles P-C4'-P energy: -115.516 tors. eta vs tors. theta energy: -213.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2500.792865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.792865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.792865 (E_RNA) where: Base-Base interactions energy: -1659.296 where: short stacking energy: -746.985 Base-Backbone interact. energy: -4.798 local terms energy: -836.699707 where: bonds (distance) C4'-P energy: -154.784 bonds (distance) P-C4' energy: -151.575 flat angles C4'-P-C4' energy: -185.822 flat angles P-C4'-P energy: -122.948 tors. eta vs tors. theta energy: -221.571 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: 9 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2437.052868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.052868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.052868 (E_RNA) where: Base-Base interactions energy: -1672.924 where: short stacking energy: -716.024 Base-Backbone interact. energy: -6.368 local terms energy: -757.760302 where: bonds (distance) C4'-P energy: -138.302 bonds (distance) P-C4' energy: -156.856 flat angles C4'-P-C4' energy: -156.000 flat angles P-C4'-P energy: -110.027 tors. eta vs tors. theta energy: -196.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2190.664525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.664525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.664525 (E_RNA) where: Base-Base interactions energy: -1489.501 where: short stacking energy: -647.047 Base-Backbone interact. energy: 1.896 local terms energy: -703.059861 where: bonds (distance) C4'-P energy: -138.108 bonds (distance) P-C4' energy: -147.572 flat angles C4'-P-C4' energy: -140.486 flat angles P-C4'-P energy: -101.802 tors. eta vs tors. theta energy: -175.093 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: 5 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1933.151200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.151200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.151200 (E_RNA) where: Base-Base interactions energy: -1247.343 where: short stacking energy: -557.164 Base-Backbone interact. energy: -0.364 local terms energy: -685.444075 where: bonds (distance) C4'-P energy: -154.648 bonds (distance) P-C4' energy: -143.518 flat angles C4'-P-C4' energy: -163.902 flat angles P-C4'-P energy: -96.994 tors. eta vs tors. theta energy: -126.382 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: 7 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1556.316245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.316245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.316245 (E_RNA) where: Base-Base interactions energy: -968.832 where: short stacking energy: -480.951 Base-Backbone interact. energy: 4.665 local terms energy: -592.148728 where: bonds (distance) C4'-P energy: -130.503 bonds (distance) P-C4' energy: -153.622 flat angles C4'-P-C4' energy: -129.124 flat angles P-C4'-P energy: -78.625 tors. eta vs tors. theta energy: -100.275 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: 8 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1327.528681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.528681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.528681 (E_RNA) where: Base-Base interactions energy: -789.558 where: short stacking energy: -362.767 Base-Backbone interact. energy: -4.258 local terms energy: -533.712316 where: bonds (distance) C4'-P energy: -123.533 bonds (distance) P-C4' energy: -137.825 flat angles C4'-P-C4' energy: -133.927 flat angles P-C4'-P energy: -90.417 tors. eta vs tors. theta energy: -48.010 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: 9, replica: 6 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -939.607216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.607216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.607216 (E_RNA) where: Base-Base interactions energy: -457.583 where: short stacking energy: -243.355 Base-Backbone interact. energy: -2.401 local terms energy: -479.622708 where: bonds (distance) C4'-P energy: -143.131 bonds (distance) P-C4' energy: -147.949 flat angles C4'-P-C4' energy: -113.025 flat angles P-C4'-P energy: -63.652 tors. eta vs tors. theta energy: -11.865 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: 10 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -602.648668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.648668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.648668 (E_RNA) where: Base-Base interactions energy: -202.142 where: short stacking energy: -167.451 Base-Backbone interact. energy: 2.165 local terms energy: -402.671144 where: bonds (distance) C4'-P energy: -136.715 bonds (distance) P-C4' energy: -124.302 flat angles C4'-P-C4' energy: -103.999 flat angles P-C4'-P energy: -66.034 tors. eta vs tors. theta energy: 28.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2721.989536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.989536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.989536 (E_RNA) where: Base-Base interactions energy: -1841.658 where: short stacking energy: -810.187 Base-Backbone interact. energy: -2.178 local terms energy: -878.152829 where: bonds (distance) C4'-P energy: -163.199 bonds (distance) P-C4' energy: -156.734 flat angles C4'-P-C4' energy: -196.066 flat angles P-C4'-P energy: -137.744 tors. eta vs tors. theta energy: -224.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2585.530301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.530301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.530301 (E_RNA) where: Base-Base interactions energy: -1792.979 where: short stacking energy: -795.480 Base-Backbone interact. energy: -3.331 local terms energy: -789.219732 where: bonds (distance) C4'-P energy: -146.273 bonds (distance) P-C4' energy: -140.376 flat angles C4'-P-C4' energy: -164.246 flat angles P-C4'-P energy: -118.729 tors. eta vs tors. theta energy: -219.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2537.100915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.100915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.100915 (E_RNA) where: Base-Base interactions energy: -1738.255 where: short stacking energy: -757.524 Base-Backbone interact. energy: 0.521 local terms energy: -799.367519 where: bonds (distance) C4'-P energy: -141.613 bonds (distance) P-C4' energy: -157.789 flat angles C4'-P-C4' energy: -170.537 flat angles P-C4'-P energy: -122.558 tors. eta vs tors. theta energy: -206.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2457.023289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.023289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.023289 (E_RNA) where: Base-Base interactions energy: -1709.003 where: short stacking energy: -733.074 Base-Backbone interact. energy: -0.467 local terms energy: -747.552462 where: bonds (distance) C4'-P energy: -142.277 bonds (distance) P-C4' energy: -147.778 flat angles C4'-P-C4' energy: -159.911 flat angles P-C4'-P energy: -101.623 tors. eta vs tors. theta energy: -195.964 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: 367 Temperature: 1.100000 Total energy: -2195.688180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.688180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.688180 (E_RNA) where: Base-Base interactions energy: -1478.106 where: short stacking energy: -658.716 Base-Backbone interact. energy: -3.139 local terms energy: -714.443030 where: bonds (distance) C4'-P energy: -161.191 bonds (distance) P-C4' energy: -131.848 flat angles C4'-P-C4' energy: -166.093 flat angles P-C4'-P energy: -101.564 tors. eta vs tors. theta energy: -153.748 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: 5 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1921.425510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.425510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.425510 (E_RNA) where: Base-Base interactions energy: -1278.238 where: short stacking energy: -569.365 Base-Backbone interact. energy: -2.779 local terms energy: -640.407817 where: bonds (distance) C4'-P energy: -135.400 bonds (distance) P-C4' energy: -153.999 flat angles C4'-P-C4' energy: -147.236 flat angles P-C4'-P energy: -83.421 tors. eta vs tors. theta energy: -120.352 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: 7 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1499.388311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.388311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.388311 (E_RNA) where: Base-Base interactions energy: -914.300 where: short stacking energy: -451.463 Base-Backbone interact. energy: -2.770 local terms energy: -582.318238 where: bonds (distance) C4'-P energy: -132.893 bonds (distance) P-C4' energy: -140.258 flat angles C4'-P-C4' energy: -144.602 flat angles P-C4'-P energy: -70.520 tors. eta vs tors. theta energy: -94.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1297.666592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.666592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.666592 (E_RNA) where: Base-Base interactions energy: -780.729 where: short stacking energy: -365.511 Base-Backbone interact. energy: 1.505 local terms energy: -518.443237 where: bonds (distance) C4'-P energy: -134.136 bonds (distance) P-C4' energy: -143.469 flat angles C4'-P-C4' energy: -113.499 flat angles P-C4'-P energy: -80.940 tors. eta vs tors. theta energy: -46.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -929.245699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.245699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.245699 (E_RNA) where: Base-Base interactions energy: -460.599 where: short stacking energy: -286.421 Base-Backbone interact. energy: -0.893 local terms energy: -467.753659 where: bonds (distance) C4'-P energy: -119.573 bonds (distance) P-C4' energy: -153.163 flat angles C4'-P-C4' energy: -93.685 flat angles P-C4'-P energy: -78.322 tors. eta vs tors. theta energy: -23.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -642.470321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.470321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.470321 (E_RNA) where: Base-Base interactions energy: -235.329 where: short stacking energy: -194.724 Base-Backbone interact. energy: 3.235 local terms energy: -410.377058 where: bonds (distance) C4'-P energy: -128.973 bonds (distance) P-C4' energy: -126.424 flat angles C4'-P-C4' energy: -102.852 flat angles P-C4'-P energy: -60.042 tors. eta vs tors. theta energy: 7.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2664.108019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.108019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.108019 (E_RNA) where: Base-Base interactions energy: -1808.781 where: short stacking energy: -774.564 Base-Backbone interact. energy: -4.182 local terms energy: -851.145568 where: bonds (distance) C4'-P energy: -164.171 bonds (distance) P-C4' energy: -163.147 flat angles C4'-P-C4' energy: -193.025 flat angles P-C4'-P energy: -107.869 tors. eta vs tors. theta energy: -222.933 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: 368 Temperature: 0.950000 Total energy: -2616.030501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.030501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.030501 (E_RNA) where: Base-Base interactions energy: -1774.614 where: short stacking energy: -776.608 Base-Backbone interact. energy: -1.026 local terms energy: -840.390413 where: bonds (distance) C4'-P energy: -167.831 bonds (distance) P-C4' energy: -160.384 flat angles C4'-P-C4' energy: -195.302 flat angles P-C4'-P energy: -116.817 tors. eta vs tors. theta energy: -200.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2493.651016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.651016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.651016 (E_RNA) where: Base-Base interactions energy: -1716.243 where: short stacking energy: -728.501 Base-Backbone interact. energy: 0.010 local terms energy: -777.417814 where: bonds (distance) C4'-P energy: -151.552 bonds (distance) P-C4' energy: -143.487 flat angles C4'-P-C4' energy: -163.329 flat angles P-C4'-P energy: -119.265 tors. eta vs tors. theta energy: -199.784 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: 4, replica: 1 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2427.853550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.853550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.853550 (E_RNA) where: Base-Base interactions energy: -1651.854 where: short stacking energy: -728.995 Base-Backbone interact. energy: 0.434 local terms energy: -776.433781 where: bonds (distance) C4'-P energy: -149.853 bonds (distance) P-C4' energy: -153.876 flat angles C4'-P-C4' energy: -148.519 flat angles P-C4'-P energy: -116.890 tors. eta vs tors. theta energy: -207.296 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: 368 Temperature: 1.100000 Total energy: -2163.133331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.133331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.133331 (E_RNA) where: Base-Base interactions energy: -1447.480 where: short stacking energy: -635.276 Base-Backbone interact. energy: -1.879 local terms energy: -713.774897 where: bonds (distance) C4'-P energy: -136.748 bonds (distance) P-C4' energy: -171.953 flat angles C4'-P-C4' energy: -149.523 flat angles P-C4'-P energy: -108.950 tors. eta vs tors. theta energy: -146.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1852.273035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.273035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.273035 (E_RNA) where: Base-Base interactions energy: -1217.101 where: short stacking energy: -559.326 Base-Backbone interact. energy: 0.267 local terms energy: -635.439022 where: bonds (distance) C4'-P energy: -133.742 bonds (distance) P-C4' energy: -146.690 flat angles C4'-P-C4' energy: -150.609 flat angles P-C4'-P energy: -80.084 tors. eta vs tors. theta energy: -124.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1522.239380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.239380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.239380 (E_RNA) where: Base-Base interactions energy: -897.205 where: short stacking energy: -391.452 Base-Backbone interact. energy: -2.056 local terms energy: -622.978433 where: bonds (distance) C4'-P energy: -145.354 bonds (distance) P-C4' energy: -142.702 flat angles C4'-P-C4' energy: -144.737 flat angles P-C4'-P energy: -90.484 tors. eta vs tors. theta energy: -99.702 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: 8 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1395.193801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.193801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.193801 (E_RNA) where: Base-Base interactions energy: -841.872 where: short stacking energy: -381.987 Base-Backbone interact. energy: -0.173 local terms energy: -553.148825 where: bonds (distance) C4'-P energy: -120.211 bonds (distance) P-C4' energy: -131.770 flat angles C4'-P-C4' energy: -152.334 flat angles P-C4'-P energy: -81.902 tors. eta vs tors. theta energy: -66.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1018.933168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.933168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.933168 (E_RNA) where: Base-Base interactions energy: -538.829 where: short stacking energy: -271.885 Base-Backbone interact. energy: -1.657 local terms energy: -478.446853 where: bonds (distance) C4'-P energy: -123.677 bonds (distance) P-C4' energy: -139.333 flat angles C4'-P-C4' energy: -118.550 flat angles P-C4'-P energy: -70.847 tors. eta vs tors. theta energy: -26.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -617.247961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.247961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.247961 (E_RNA) where: Base-Base interactions energy: -201.735 where: short stacking energy: -191.628 Base-Backbone interact. energy: 1.425 local terms energy: -416.938492 where: bonds (distance) C4'-P energy: -139.771 bonds (distance) P-C4' energy: -122.973 flat angles C4'-P-C4' energy: -119.442 flat angles P-C4'-P energy: -50.068 tors. eta vs tors. theta energy: 15.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2706.340987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.340987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.340987 (E_RNA) where: Base-Base interactions energy: -1840.138 where: short stacking energy: -797.199 Base-Backbone interact. energy: -0.186 local terms energy: -866.016948 where: bonds (distance) C4'-P energy: -165.429 bonds (distance) P-C4' energy: -169.902 flat angles C4'-P-C4' energy: -179.986 flat angles P-C4'-P energy: -119.141 tors. eta vs tors. theta energy: -231.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2607.072615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.072615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.072615 (E_RNA) where: Base-Base interactions energy: -1784.576 where: short stacking energy: -774.905 Base-Backbone interact. energy: 3.280 local terms energy: -825.777503 where: bonds (distance) C4'-P energy: -154.992 bonds (distance) P-C4' energy: -147.880 flat angles C4'-P-C4' energy: -181.950 flat angles P-C4'-P energy: -122.292 tors. eta vs tors. theta energy: -218.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2564.381576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.381576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.381576 (E_RNA) where: Base-Base interactions energy: -1716.986 where: short stacking energy: -725.008 Base-Backbone interact. energy: -2.294 local terms energy: -845.101960 where: bonds (distance) C4'-P energy: -169.839 bonds (distance) P-C4' energy: -164.021 flat angles C4'-P-C4' energy: -182.500 flat angles P-C4'-P energy: -119.281 tors. eta vs tors. theta energy: -209.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2437.848771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.848771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.848771 (E_RNA) where: Base-Base interactions energy: -1614.760 where: short stacking energy: -732.742 Base-Backbone interact. energy: -2.377 local terms energy: -820.710948 where: bonds (distance) C4'-P energy: -152.243 bonds (distance) P-C4' energy: -153.070 flat angles C4'-P-C4' energy: -175.161 flat angles P-C4'-P energy: -118.982 tors. eta vs tors. theta energy: -221.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2152.954543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.954543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.954543 (E_RNA) where: Base-Base interactions energy: -1442.063 where: short stacking energy: -658.362 Base-Backbone interact. energy: -3.164 local terms energy: -707.727372 where: bonds (distance) C4'-P energy: -124.810 bonds (distance) P-C4' energy: -144.934 flat angles C4'-P-C4' energy: -172.333 flat angles P-C4'-P energy: -103.811 tors. eta vs tors. theta energy: -161.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1948.696365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.696365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.696365 (E_RNA) where: Base-Base interactions energy: -1290.528 where: short stacking energy: -557.013 Base-Backbone interact. energy: 0.978 local terms energy: -659.146531 where: bonds (distance) C4'-P energy: -158.270 bonds (distance) P-C4' energy: -132.767 flat angles C4'-P-C4' energy: -149.227 flat angles P-C4'-P energy: -87.003 tors. eta vs tors. theta energy: -131.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1562.511383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.511383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.511383 (E_RNA) where: Base-Base interactions energy: -965.277 where: short stacking energy: -446.931 Base-Backbone interact. energy: -1.500 local terms energy: -595.734033 where: bonds (distance) C4'-P energy: -137.519 bonds (distance) P-C4' energy: -145.137 flat angles C4'-P-C4' energy: -146.449 flat angles P-C4'-P energy: -99.206 tors. eta vs tors. theta energy: -67.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1396.570339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.570339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.570339 (E_RNA) where: Base-Base interactions energy: -857.142 where: short stacking energy: -406.706 Base-Backbone interact. energy: 2.091 local terms energy: -541.518953 where: bonds (distance) C4'-P energy: -137.518 bonds (distance) P-C4' energy: -136.708 flat angles C4'-P-C4' energy: -121.375 flat angles P-C4'-P energy: -90.877 tors. eta vs tors. theta energy: -55.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1031.591546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.591546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.591546 (E_RNA) where: Base-Base interactions energy: -558.162 where: short stacking energy: -280.844 Base-Backbone interact. energy: -2.132 local terms energy: -471.296698 where: bonds (distance) C4'-P energy: -137.005 bonds (distance) P-C4' energy: -131.208 flat angles C4'-P-C4' energy: -113.521 flat angles P-C4'-P energy: -75.971 tors. eta vs tors. theta energy: -13.592 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: 10 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -616.888262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.888262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.888262 (E_RNA) where: Base-Base interactions energy: -231.390 where: short stacking energy: -187.420 Base-Backbone interact. energy: 5.098 local terms energy: -390.595718 where: bonds (distance) C4'-P energy: -115.898 bonds (distance) P-C4' energy: -147.338 flat angles C4'-P-C4' energy: -101.033 flat angles P-C4'-P energy: -64.320 tors. eta vs tors. theta energy: 37.994 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: 3 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2692.380670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.380670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.380670 (E_RNA) where: Base-Base interactions energy: -1840.578 where: short stacking energy: -799.390 Base-Backbone interact. energy: 3.342 local terms energy: -855.144376 where: bonds (distance) C4'-P energy: -148.593 bonds (distance) P-C4' energy: -162.230 flat angles C4'-P-C4' energy: -187.734 flat angles P-C4'-P energy: -141.137 tors. eta vs tors. theta energy: -215.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2639.820752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.820752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.820752 (E_RNA) where: Base-Base interactions energy: -1802.143 where: short stacking energy: -779.801 Base-Backbone interact. energy: -3.499 local terms energy: -834.178969 where: bonds (distance) C4'-P energy: -158.445 bonds (distance) P-C4' energy: -148.923 flat angles C4'-P-C4' energy: -193.077 flat angles P-C4'-P energy: -117.833 tors. eta vs tors. theta energy: -215.900 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: 9 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2530.075922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.075922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.075922 (E_RNA) where: Base-Base interactions energy: -1747.446 where: short stacking energy: -736.394 Base-Backbone interact. energy: -2.109 local terms energy: -780.521044 where: bonds (distance) C4'-P energy: -152.020 bonds (distance) P-C4' energy: -157.790 flat angles C4'-P-C4' energy: -157.216 flat angles P-C4'-P energy: -115.117 tors. eta vs tors. theta energy: -198.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2424.571834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.571834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.571834 (E_RNA) where: Base-Base interactions energy: -1641.862 where: short stacking energy: -738.543 Base-Backbone interact. energy: -2.688 local terms energy: -780.021315 where: bonds (distance) C4'-P energy: -156.978 bonds (distance) P-C4' energy: -139.235 flat angles C4'-P-C4' energy: -177.775 flat angles P-C4'-P energy: -84.227 tors. eta vs tors. theta energy: -221.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2136.653147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.653147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.653147 (E_RNA) where: Base-Base interactions energy: -1415.405 where: short stacking energy: -595.695 Base-Backbone interact. energy: -4.266 local terms energy: -716.982540 where: bonds (distance) C4'-P energy: -142.941 bonds (distance) P-C4' energy: -161.293 flat angles C4'-P-C4' energy: -157.366 flat angles P-C4'-P energy: -112.512 tors. eta vs tors. theta energy: -142.871 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: 5 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1869.842463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.842463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.842463 (E_RNA) where: Base-Base interactions energy: -1255.001 where: short stacking energy: -551.610 Base-Backbone interact. energy: -3.551 local terms energy: -611.290584 where: bonds (distance) C4'-P energy: -140.584 bonds (distance) P-C4' energy: -141.493 flat angles C4'-P-C4' energy: -141.150 flat angles P-C4'-P energy: -85.554 tors. eta vs tors. theta energy: -102.511 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: 7 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1579.853034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.853034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.853034 (E_RNA) where: Base-Base interactions energy: -963.041 where: short stacking energy: -431.416 Base-Backbone interact. energy: -1.108 local terms energy: -615.703813 where: bonds (distance) C4'-P energy: -136.939 bonds (distance) P-C4' energy: -136.425 flat angles C4'-P-C4' energy: -153.206 flat angles P-C4'-P energy: -108.120 tors. eta vs tors. theta energy: -81.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1379.933967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.933967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.933967 (E_RNA) where: Base-Base interactions energy: -803.867 where: short stacking energy: -391.384 Base-Backbone interact. energy: 0.160 local terms energy: -576.227031 where: bonds (distance) C4'-P energy: -134.287 bonds (distance) P-C4' energy: -153.436 flat angles C4'-P-C4' energy: -142.182 flat angles P-C4'-P energy: -80.219 tors. eta vs tors. theta energy: -66.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -932.267802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.267802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.267802 (E_RNA) where: Base-Base interactions energy: -485.617 where: short stacking energy: -277.084 Base-Backbone interact. energy: 12.968 local terms energy: -459.618058 where: bonds (distance) C4'-P energy: -132.476 bonds (distance) P-C4' energy: -134.252 flat angles C4'-P-C4' energy: -117.138 flat angles P-C4'-P energy: -72.202 tors. eta vs tors. theta energy: -3.549 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: 10 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -640.588082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.588082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.588082 (E_RNA) where: Base-Base interactions energy: -228.374 where: short stacking energy: -171.741 Base-Backbone interact. energy: -0.469 local terms energy: -411.745472 where: bonds (distance) C4'-P energy: -118.332 bonds (distance) P-C4' energy: -129.245 flat angles C4'-P-C4' energy: -114.960 flat angles P-C4'-P energy: -72.424 tors. eta vs tors. theta energy: 23.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2698.341057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.341057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.341057 (E_RNA) where: Base-Base interactions energy: -1848.457 where: short stacking energy: -785.062 Base-Backbone interact. energy: -0.324 local terms energy: -849.560848 where: bonds (distance) C4'-P energy: -167.994 bonds (distance) P-C4' energy: -158.087 flat angles C4'-P-C4' energy: -168.084 flat angles P-C4'-P energy: -124.518 tors. eta vs tors. theta energy: -230.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2630.922894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.922894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.922894 (E_RNA) where: Base-Base interactions energy: -1798.225 where: short stacking energy: -781.125 Base-Backbone interact. energy: -1.646 local terms energy: -831.052109 where: bonds (distance) C4'-P energy: -159.537 bonds (distance) P-C4' energy: -153.974 flat angles C4'-P-C4' energy: -172.795 flat angles P-C4'-P energy: -121.701 tors. eta vs tors. theta energy: -223.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2537.179972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.179972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.179972 (E_RNA) where: Base-Base interactions energy: -1765.735 where: short stacking energy: -707.333 Base-Backbone interact. energy: -3.811 local terms energy: -767.634058 where: bonds (distance) C4'-P energy: -150.786 bonds (distance) P-C4' energy: -137.507 flat angles C4'-P-C4' energy: -177.122 flat angles P-C4'-P energy: -112.608 tors. eta vs tors. theta energy: -189.611 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: 1 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2424.889938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.889938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.889938 (E_RNA) where: Base-Base interactions energy: -1622.276 where: short stacking energy: -751.326 Base-Backbone interact. energy: -1.771 local terms energy: -800.842610 where: bonds (distance) C4'-P energy: -138.987 bonds (distance) P-C4' energy: -144.094 flat angles C4'-P-C4' energy: -179.585 flat angles P-C4'-P energy: -123.350 tors. eta vs tors. theta energy: -214.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2096.023130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.023130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.023130 (E_RNA) where: Base-Base interactions energy: -1421.498 where: short stacking energy: -608.432 Base-Backbone interact. energy: -1.535 local terms energy: -672.990821 where: bonds (distance) C4'-P energy: -115.070 bonds (distance) P-C4' energy: -133.835 flat angles C4'-P-C4' energy: -167.472 flat angles P-C4'-P energy: -107.940 tors. eta vs tors. theta energy: -148.675 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: 371 Temperature: 1.150000 Total energy: -1898.709033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.709033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.709033 (E_RNA) where: Base-Base interactions energy: -1278.659 where: short stacking energy: -584.088 Base-Backbone interact. energy: -3.196 local terms energy: -616.854143 where: bonds (distance) C4'-P energy: -122.865 bonds (distance) P-C4' energy: -137.955 flat angles C4'-P-C4' energy: -132.697 flat angles P-C4'-P energy: -78.216 tors. eta vs tors. theta energy: -145.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1439.831194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.831194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.831194 (E_RNA) where: Base-Base interactions energy: -893.610 where: short stacking energy: -414.194 Base-Backbone interact. energy: -0.622 local terms energy: -545.599003 where: bonds (distance) C4'-P energy: -132.198 bonds (distance) P-C4' energy: -132.673 flat angles C4'-P-C4' energy: -139.867 flat angles P-C4'-P energy: -77.712 tors. eta vs tors. theta energy: -63.149 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: 8 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1354.723161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.723161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.723161 (E_RNA) where: Base-Base interactions energy: -819.509 where: short stacking energy: -385.633 Base-Backbone interact. energy: 0.295 local terms energy: -535.508846 where: bonds (distance) C4'-P energy: -122.230 bonds (distance) P-C4' energy: -122.660 flat angles C4'-P-C4' energy: -137.763 flat angles P-C4'-P energy: -97.032 tors. eta vs tors. theta energy: -55.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -907.189837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.189837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.189837 (E_RNA) where: Base-Base interactions energy: -428.017 where: short stacking energy: -246.496 Base-Backbone interact. energy: 5.869 local terms energy: -485.041389 where: bonds (distance) C4'-P energy: -134.261 bonds (distance) P-C4' energy: -146.954 flat angles C4'-P-C4' energy: -120.625 flat angles P-C4'-P energy: -77.666 tors. eta vs tors. theta energy: -5.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -647.181705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.181705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.181705 (E_RNA) where: Base-Base interactions energy: -250.210 where: short stacking energy: -192.846 Base-Backbone interact. energy: 4.909 local terms energy: -401.880877 where: bonds (distance) C4'-P energy: -107.356 bonds (distance) P-C4' energy: -137.607 flat angles C4'-P-C4' energy: -129.975 flat angles P-C4'-P energy: -67.850 tors. eta vs tors. theta energy: 40.906 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: 3 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2708.097818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.097818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.097818 (E_RNA) where: Base-Base interactions energy: -1836.373 where: short stacking energy: -789.608 Base-Backbone interact. energy: -5.095 local terms energy: -866.630442 where: bonds (distance) C4'-P energy: -162.096 bonds (distance) P-C4' energy: -158.462 flat angles C4'-P-C4' energy: -190.199 flat angles P-C4'-P energy: -137.261 tors. eta vs tors. theta energy: -218.612 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: 372 Temperature: 0.950000 Total energy: -2639.185508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.185508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.185508 (E_RNA) where: Base-Base interactions energy: -1801.430 where: short stacking energy: -822.454 Base-Backbone interact. energy: -1.271 local terms energy: -836.484072 where: bonds (distance) C4'-P energy: -144.625 bonds (distance) P-C4' energy: -161.835 flat angles C4'-P-C4' energy: -175.273 flat angles P-C4'-P energy: -126.606 tors. eta vs tors. theta energy: -228.145 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: 9 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2572.181175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.181175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.181175 (E_RNA) where: Base-Base interactions energy: -1800.748 where: short stacking energy: -728.401 Base-Backbone interact. energy: -5.740 local terms energy: -765.693224 where: bonds (distance) C4'-P energy: -157.537 bonds (distance) P-C4' energy: -149.702 flat angles C4'-P-C4' energy: -176.526 flat angles P-C4'-P energy: -97.295 tors. eta vs tors. theta energy: -184.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2450.922967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.922967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.922967 (E_RNA) where: Base-Base interactions energy: -1668.159 where: short stacking energy: -750.620 Base-Backbone interact. energy: 1.224 local terms energy: -783.987213 where: bonds (distance) C4'-P energy: -147.298 bonds (distance) P-C4' energy: -137.553 flat angles C4'-P-C4' energy: -167.825 flat angles P-C4'-P energy: -109.478 tors. eta vs tors. theta energy: -221.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2167.885359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.885359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.885359 (E_RNA) where: Base-Base interactions energy: -1449.681 where: short stacking energy: -612.858 Base-Backbone interact. energy: -4.078 local terms energy: -714.126700 where: bonds (distance) C4'-P energy: -131.274 bonds (distance) P-C4' energy: -153.073 flat angles C4'-P-C4' energy: -169.967 flat angles P-C4'-P energy: -108.293 tors. eta vs tors. theta energy: -151.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1858.609790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.609790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.609790 (E_RNA) where: Base-Base interactions energy: -1200.704 where: short stacking energy: -536.983 Base-Backbone interact. energy: 2.690 local terms energy: -660.596473 where: bonds (distance) C4'-P energy: -136.008 bonds (distance) P-C4' energy: -147.725 flat angles C4'-P-C4' energy: -141.704 flat angles P-C4'-P energy: -102.961 tors. eta vs tors. theta energy: -132.199 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: 7 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1531.830378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.830378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.830378 (E_RNA) where: Base-Base interactions energy: -945.552 where: short stacking energy: -459.782 Base-Backbone interact. energy: -2.460 local terms energy: -583.818043 where: bonds (distance) C4'-P energy: -150.431 bonds (distance) P-C4' energy: -136.460 flat angles C4'-P-C4' energy: -128.102 flat angles P-C4'-P energy: -84.128 tors. eta vs tors. theta energy: -84.698 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: 8 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1323.253003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.253003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.253003 (E_RNA) where: Base-Base interactions energy: -776.084 where: short stacking energy: -387.523 Base-Backbone interact. energy: -2.867 local terms energy: -544.301538 where: bonds (distance) C4'-P energy: -128.023 bonds (distance) P-C4' energy: -134.964 flat angles C4'-P-C4' energy: -132.111 flat angles P-C4'-P energy: -95.159 tors. eta vs tors. theta energy: -54.045 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: 6 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -841.794837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.794837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.794837 (E_RNA) where: Base-Base interactions energy: -387.407 where: short stacking energy: -253.700 Base-Backbone interact. energy: 4.597 local terms energy: -458.984202 where: bonds (distance) C4'-P energy: -129.504 bonds (distance) P-C4' energy: -138.994 flat angles C4'-P-C4' energy: -117.003 flat angles P-C4'-P energy: -60.992 tors. eta vs tors. theta energy: -12.491 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: 10 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -625.211004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.211004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.211004 (E_RNA) where: Base-Base interactions energy: -198.879 where: short stacking energy: -172.997 Base-Backbone interact. energy: -0.254 local terms energy: -426.078301 where: bonds (distance) C4'-P energy: -128.445 bonds (distance) P-C4' energy: -118.773 flat angles C4'-P-C4' energy: -133.199 flat angles P-C4'-P energy: -59.577 tors. eta vs tors. theta energy: 13.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -2682.058344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.058344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.058344 (E_RNA) where: Base-Base interactions energy: -1834.419 where: short stacking energy: -774.945 Base-Backbone interact. energy: -3.088 local terms energy: -844.551079 where: bonds (distance) C4'-P energy: -168.320 bonds (distance) P-C4' energy: -152.197 flat angles C4'-P-C4' energy: -179.489 flat angles P-C4'-P energy: -126.296 tors. eta vs tors. theta energy: -218.250 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: 373 Temperature: 0.950000 Total energy: -2606.574226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.574226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.574226 (E_RNA) where: Base-Base interactions energy: -1763.951 where: short stacking energy: -794.651 Base-Backbone interact. energy: -4.158 local terms energy: -838.465968 where: bonds (distance) C4'-P energy: -153.833 bonds (distance) P-C4' energy: -149.941 flat angles C4'-P-C4' energy: -200.570 flat angles P-C4'-P energy: -120.480 tors. eta vs tors. theta energy: -213.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2509.664568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.664568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.664568 (E_RNA) where: Base-Base interactions energy: -1737.428 where: short stacking energy: -746.538 Base-Backbone interact. energy: -5.023 local terms energy: -767.214205 where: bonds (distance) C4'-P energy: -136.198 bonds (distance) P-C4' energy: -151.206 flat angles C4'-P-C4' energy: -177.877 flat angles P-C4'-P energy: -115.869 tors. eta vs tors. theta energy: -186.064 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: 1 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2399.989212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.989212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.989212 (E_RNA) where: Base-Base interactions energy: -1613.379 where: short stacking energy: -708.018 Base-Backbone interact. energy: -1.599 local terms energy: -785.011714 where: bonds (distance) C4'-P energy: -146.897 bonds (distance) P-C4' energy: -153.591 flat angles C4'-P-C4' energy: -179.299 flat angles P-C4'-P energy: -101.676 tors. eta vs tors. theta energy: -203.549 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: 4 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2226.155640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.155640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.155640 (E_RNA) where: Base-Base interactions energy: -1485.560 where: short stacking energy: -638.074 Base-Backbone interact. energy: -3.406 local terms energy: -737.189527 where: bonds (distance) C4'-P energy: -139.832 bonds (distance) P-C4' energy: -159.534 flat angles C4'-P-C4' energy: -170.302 flat angles P-C4'-P energy: -103.653 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: 6, replica: 5 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1949.840609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.840609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.840609 (E_RNA) where: Base-Base interactions energy: -1273.870 where: short stacking energy: -572.157 Base-Backbone interact. energy: 0.798 local terms energy: -676.768926 where: bonds (distance) C4'-P energy: -151.763 bonds (distance) P-C4' energy: -140.032 flat angles C4'-P-C4' energy: -157.538 flat angles P-C4'-P energy: -87.405 tors. eta vs tors. theta energy: -140.032 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: 7 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1473.459801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.459801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.459801 (E_RNA) where: Base-Base interactions energy: -907.251 where: short stacking energy: -438.302 Base-Backbone interact. energy: 1.619 local terms energy: -567.828511 where: bonds (distance) C4'-P energy: -110.648 bonds (distance) P-C4' energy: -149.417 flat angles C4'-P-C4' energy: -140.748 flat angles P-C4'-P energy: -83.037 tors. eta vs tors. theta energy: -83.978 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: 8 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1316.518501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.518501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.518501 (E_RNA) where: Base-Base interactions energy: -777.212 where: short stacking energy: -367.756 Base-Backbone interact. energy: -0.261 local terms energy: -539.045435 where: bonds (distance) C4'-P energy: -138.545 bonds (distance) P-C4' energy: -139.243 flat angles C4'-P-C4' energy: -139.525 flat angles P-C4'-P energy: -74.900 tors. eta vs tors. theta energy: -46.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -814.372612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.372612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.372612 (E_RNA) where: Base-Base interactions energy: -372.094 where: short stacking energy: -218.526 Base-Backbone interact. energy: -1.339 local terms energy: -440.940354 where: bonds (distance) C4'-P energy: -121.028 bonds (distance) P-C4' energy: -131.739 flat angles C4'-P-C4' energy: -116.812 flat angles P-C4'-P energy: -83.766 tors. eta vs tors. theta energy: 12.405 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: 10 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -633.057961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.057961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.057961 (E_RNA) where: Base-Base interactions energy: -226.114 where: short stacking energy: -191.970 Base-Backbone interact. energy: 0.057 local terms energy: -407.000534 where: bonds (distance) C4'-P energy: -128.132 bonds (distance) P-C4' energy: -127.092 flat angles C4'-P-C4' energy: -105.994 flat angles P-C4'-P energy: -74.971 tors. eta vs tors. theta energy: 29.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2688.984917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.984917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.984917 (E_RNA) where: Base-Base interactions energy: -1817.979 where: short stacking energy: -787.742 Base-Backbone interact. energy: -1.969 local terms energy: -869.037300 where: bonds (distance) C4'-P energy: -157.060 bonds (distance) P-C4' energy: -171.287 flat angles C4'-P-C4' energy: -187.003 flat angles P-C4'-P energy: -128.427 tors. eta vs tors. theta energy: -225.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2593.005976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.005976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.005976 (E_RNA) where: Base-Base interactions energy: -1761.883 where: short stacking energy: -786.650 Base-Backbone interact. energy: -3.880 local terms energy: -827.242233 where: bonds (distance) C4'-P energy: -157.870 bonds (distance) P-C4' energy: -161.664 flat angles C4'-P-C4' energy: -175.235 flat angles P-C4'-P energy: -105.037 tors. eta vs tors. theta energy: -227.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2526.521254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.521254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.521254 (E_RNA) where: Base-Base interactions energy: -1762.068 where: short stacking energy: -703.491 Base-Backbone interact. energy: -3.993 local terms energy: -760.459745 where: bonds (distance) C4'-P energy: -144.923 bonds (distance) P-C4' energy: -172.547 flat angles C4'-P-C4' energy: -156.477 flat angles P-C4'-P energy: -107.826 tors. eta vs tors. theta energy: -178.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2418.609658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.609658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.609658 (E_RNA) where: Base-Base interactions energy: -1621.356 where: short stacking energy: -726.596 Base-Backbone interact. energy: -2.262 local terms energy: -794.992602 where: bonds (distance) C4'-P energy: -138.554 bonds (distance) P-C4' energy: -145.300 flat angles C4'-P-C4' energy: -173.971 flat angles P-C4'-P energy: -127.803 tors. eta vs tors. theta energy: -209.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2228.699462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.699462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.699462 (E_RNA) where: Base-Base interactions energy: -1469.104 where: short stacking energy: -646.015 Base-Backbone interact. energy: -3.754 local terms energy: -755.841346 where: bonds (distance) C4'-P energy: -144.274 bonds (distance) P-C4' energy: -160.785 flat angles C4'-P-C4' energy: -163.647 flat angles P-C4'-P energy: -111.616 tors. eta vs tors. theta energy: -175.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1934.081170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.081170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.081170 (E_RNA) where: Base-Base interactions energy: -1290.197 where: short stacking energy: -528.674 Base-Backbone interact. energy: -0.111 local terms energy: -643.773546 where: bonds (distance) C4'-P energy: -138.072 bonds (distance) P-C4' energy: -142.107 flat angles C4'-P-C4' energy: -133.666 flat angles P-C4'-P energy: -111.649 tors. eta vs tors. theta energy: -118.279 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: 8 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1400.739568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.739568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.739568 (E_RNA) where: Base-Base interactions energy: -839.980 where: short stacking energy: -397.071 Base-Backbone interact. energy: 0.138 local terms energy: -560.896668 where: bonds (distance) C4'-P energy: -135.485 bonds (distance) P-C4' energy: -163.441 flat angles C4'-P-C4' energy: -118.320 flat angles P-C4'-P energy: -89.619 tors. eta vs tors. theta energy: -54.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1442.285162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.285162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.285162 (E_RNA) where: Base-Base interactions energy: -897.976 where: short stacking energy: -419.167 Base-Backbone interact. energy: 7.615 local terms energy: -551.924304 where: bonds (distance) C4'-P energy: -124.187 bonds (distance) P-C4' energy: -128.336 flat angles C4'-P-C4' energy: -124.186 flat angles P-C4'-P energy: -86.449 tors. eta vs tors. theta energy: -88.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -857.578322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.578322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.578322 (E_RNA) where: Base-Base interactions energy: -422.192 where: short stacking energy: -249.084 Base-Backbone interact. energy: 0.373 local terms energy: -435.759379 where: bonds (distance) C4'-P energy: -122.561 bonds (distance) P-C4' energy: -140.244 flat angles C4'-P-C4' energy: -110.769 flat angles P-C4'-P energy: -58.390 tors. eta vs tors. theta energy: -3.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -657.741561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.741561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.741561 (E_RNA) where: Base-Base interactions energy: -273.824 where: short stacking energy: -170.419 Base-Backbone interact. energy: 2.574 local terms energy: -386.491370 where: bonds (distance) C4'-P energy: -112.747 bonds (distance) P-C4' energy: -128.712 flat angles C4'-P-C4' energy: -119.210 flat angles P-C4'-P energy: -64.695 tors. eta vs tors. theta energy: 38.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2682.195689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.195689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.195689 (E_RNA) where: Base-Base interactions energy: -1854.316 where: short stacking energy: -784.238 Base-Backbone interact. energy: 0.972 local terms energy: -828.850944 where: bonds (distance) C4'-P energy: -156.754 bonds (distance) P-C4' energy: -158.863 flat angles C4'-P-C4' energy: -186.885 flat angles P-C4'-P energy: -119.641 tors. eta vs tors. theta energy: -206.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2577.038042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.038042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.038042 (E_RNA) where: Base-Base interactions energy: -1735.839 where: short stacking energy: -798.776 Base-Backbone interact. energy: -2.927 local terms energy: -838.272874 where: bonds (distance) C4'-P energy: -162.379 bonds (distance) P-C4' energy: -147.394 flat angles C4'-P-C4' energy: -183.350 flat angles P-C4'-P energy: -117.010 tors. eta vs tors. theta energy: -228.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2540.651019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.651019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.651019 (E_RNA) where: Base-Base interactions energy: -1752.957 where: short stacking energy: -713.956 Base-Backbone interact. energy: -7.402 local terms energy: -780.291664 where: bonds (distance) C4'-P energy: -144.601 bonds (distance) P-C4' energy: -152.404 flat angles C4'-P-C4' energy: -173.371 flat angles P-C4'-P energy: -123.959 tors. eta vs tors. theta energy: -185.956 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: 1 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2420.047234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.047234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.047234 (E_RNA) where: Base-Base interactions energy: -1619.497 where: short stacking energy: -728.398 Base-Backbone interact. energy: -2.537 local terms energy: -798.012944 where: bonds (distance) C4'-P energy: -148.736 bonds (distance) P-C4' energy: -155.870 flat angles C4'-P-C4' energy: -165.667 flat angles P-C4'-P energy: -113.016 tors. eta vs tors. theta energy: -214.723 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: 4 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2195.805689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.805689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.805689 (E_RNA) where: Base-Base interactions energy: -1469.460 where: short stacking energy: -622.849 Base-Backbone interact. energy: -0.263 local terms energy: -726.083341 where: bonds (distance) C4'-P energy: -143.743 bonds (distance) P-C4' energy: -158.682 flat angles C4'-P-C4' energy: -161.476 flat angles P-C4'-P energy: -87.349 tors. eta vs tors. theta energy: -174.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -2012.292074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.292074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.292074 (E_RNA) where: Base-Base interactions energy: -1326.835 where: short stacking energy: -550.391 Base-Backbone interact. energy: -1.682 local terms energy: -683.775753 where: bonds (distance) C4'-P energy: -148.303 bonds (distance) P-C4' energy: -142.483 flat angles C4'-P-C4' energy: -154.859 flat angles P-C4'-P energy: -109.352 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: 7, replica: 8 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1467.354823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.354823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.354823 (E_RNA) where: Base-Base interactions energy: -886.380 where: short stacking energy: -429.181 Base-Backbone interact. energy: 0.668 local terms energy: -581.643342 where: bonds (distance) C4'-P energy: -131.005 bonds (distance) P-C4' energy: -148.509 flat angles C4'-P-C4' energy: -146.627 flat angles P-C4'-P energy: -81.972 tors. eta vs tors. theta energy: -73.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1419.455361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.455361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.455361 (E_RNA) where: Base-Base interactions energy: -862.456 where: short stacking energy: -405.754 Base-Backbone interact. energy: -2.794 local terms energy: -554.205274 where: bonds (distance) C4'-P energy: -130.995 bonds (distance) P-C4' energy: -128.684 flat angles C4'-P-C4' energy: -135.497 flat angles P-C4'-P energy: -92.657 tors. eta vs tors. theta energy: -66.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -840.226227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.226227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.226227 (E_RNA) where: Base-Base interactions energy: -405.790 where: short stacking energy: -212.652 Base-Backbone interact. energy: -0.302 local terms energy: -434.134569 where: bonds (distance) C4'-P energy: -126.877 bonds (distance) P-C4' energy: -135.679 flat angles C4'-P-C4' energy: -113.203 flat angles P-C4'-P energy: -71.289 tors. eta vs tors. theta energy: 12.913 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: 10 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -634.946383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.946383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.946383 (E_RNA) where: Base-Base interactions energy: -195.316 where: short stacking energy: -166.061 Base-Backbone interact. energy: 3.275 local terms energy: -442.905730 where: bonds (distance) C4'-P energy: -144.517 bonds (distance) P-C4' energy: -142.204 flat angles C4'-P-C4' energy: -92.857 flat angles P-C4'-P energy: -67.158 tors. eta vs tors. theta energy: 3.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2673.607694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.607694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.607694 (E_RNA) where: Base-Base interactions energy: -1805.952 where: short stacking energy: -772.949 Base-Backbone interact. energy: -0.159 local terms energy: -867.496513 where: bonds (distance) C4'-P energy: -161.318 bonds (distance) P-C4' energy: -167.465 flat angles C4'-P-C4' energy: -184.657 flat angles P-C4'-P energy: -134.054 tors. eta vs tors. theta energy: -220.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2616.135780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.135780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.135780 (E_RNA) where: Base-Base interactions energy: -1748.156 where: short stacking energy: -795.144 Base-Backbone interact. energy: -3.391 local terms energy: -864.589102 where: bonds (distance) C4'-P energy: -162.998 bonds (distance) P-C4' energy: -158.251 flat angles C4'-P-C4' energy: -199.793 flat angles P-C4'-P energy: -118.607 tors. eta vs tors. theta energy: -224.941 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: 9 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2533.509119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.509119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.509119 (E_RNA) where: Base-Base interactions energy: -1724.455 where: short stacking energy: -722.514 Base-Backbone interact. energy: -3.893 local terms energy: -805.160541 where: bonds (distance) C4'-P energy: -159.873 bonds (distance) P-C4' energy: -159.924 flat angles C4'-P-C4' energy: -168.423 flat angles P-C4'-P energy: -105.335 tors. eta vs tors. theta energy: -211.606 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: 1 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2382.250856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.250856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.250856 (E_RNA) where: Base-Base interactions energy: -1565.858 where: short stacking energy: -706.282 Base-Backbone interact. energy: -2.281 local terms energy: -814.112461 where: bonds (distance) C4'-P energy: -157.930 bonds (distance) P-C4' energy: -165.665 flat angles C4'-P-C4' energy: -173.505 flat angles P-C4'-P energy: -119.590 tors. eta vs tors. theta energy: -197.422 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: 376 Temperature: 1.100000 Total energy: -2173.042065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.042065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.042065 (E_RNA) where: Base-Base interactions energy: -1491.289 where: short stacking energy: -645.433 Base-Backbone interact. energy: -0.527 local terms energy: -681.226809 where: bonds (distance) C4'-P energy: -123.930 bonds (distance) P-C4' energy: -143.948 flat angles C4'-P-C4' energy: -153.462 flat angles P-C4'-P energy: -91.509 tors. eta vs tors. theta energy: -168.378 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: 5 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1921.213830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.213830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.213830 (E_RNA) where: Base-Base interactions energy: -1282.702 where: short stacking energy: -535.457 Base-Backbone interact. energy: 0.816 local terms energy: -639.327373 where: bonds (distance) C4'-P energy: -124.639 bonds (distance) P-C4' energy: -158.642 flat angles C4'-P-C4' energy: -152.114 flat angles P-C4'-P energy: -98.858 tors. eta vs tors. theta energy: -105.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1489.342690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.342690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.342690 (E_RNA) where: Base-Base interactions energy: -919.778 where: short stacking energy: -457.535 Base-Backbone interact. energy: 4.116 local terms energy: -573.679796 where: bonds (distance) C4'-P energy: -124.819 bonds (distance) P-C4' energy: -126.389 flat angles C4'-P-C4' energy: -150.741 flat angles P-C4'-P energy: -89.203 tors. eta vs tors. theta energy: -82.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1389.037193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.037193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.037193 (E_RNA) where: Base-Base interactions energy: -814.892 where: short stacking energy: -407.267 Base-Backbone interact. energy: 3.723 local terms energy: -577.868161 where: bonds (distance) C4'-P energy: -140.823 bonds (distance) P-C4' energy: -143.649 flat angles C4'-P-C4' energy: -144.272 flat angles P-C4'-P energy: -67.396 tors. eta vs tors. theta energy: -81.728 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: 9, replica: 6 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -793.274641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.274641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.274641 (E_RNA) where: Base-Base interactions energy: -356.045 where: short stacking energy: -197.404 Base-Backbone interact. energy: 0.730 local terms energy: -437.959377 where: bonds (distance) C4'-P energy: -141.257 bonds (distance) P-C4' energy: -135.313 flat angles C4'-P-C4' energy: -121.522 flat angles P-C4'-P energy: -47.668 tors. eta vs tors. theta energy: 7.800 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: 10 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -623.767064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.767064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.767064 (E_RNA) where: Base-Base interactions energy: -205.919 where: short stacking energy: -162.433 Base-Backbone interact. energy: -1.648 local terms energy: -416.199480 where: bonds (distance) C4'-P energy: -130.801 bonds (distance) P-C4' energy: -139.876 flat angles C4'-P-C4' energy: -116.849 flat angles P-C4'-P energy: -61.354 tors. eta vs tors. theta energy: 32.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -2705.339418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.339418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.339418 (E_RNA) where: Base-Base interactions energy: -1855.117 where: short stacking energy: -784.671 Base-Backbone interact. energy: 5.202 local terms energy: -855.423671 where: bonds (distance) C4'-P energy: -159.423 bonds (distance) P-C4' energy: -164.987 flat angles C4'-P-C4' energy: -183.026 flat angles P-C4'-P energy: -120.062 tors. eta vs tors. theta energy: -227.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2595.634748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.634748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.634748 (E_RNA) where: Base-Base interactions energy: -1785.193 where: short stacking energy: -803.918 Base-Backbone interact. energy: -0.262 local terms energy: -810.178941 where: bonds (distance) C4'-P energy: -147.498 bonds (distance) P-C4' energy: -148.865 flat angles C4'-P-C4' energy: -181.466 flat angles P-C4'-P energy: -116.210 tors. eta vs tors. theta energy: -216.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2561.236476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.236476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.236476 (E_RNA) where: Base-Base interactions energy: -1764.886 where: short stacking energy: -724.282 Base-Backbone interact. energy: -3.303 local terms energy: -793.047756 where: bonds (distance) C4'-P energy: -155.985 bonds (distance) P-C4' energy: -162.306 flat angles C4'-P-C4' energy: -160.348 flat angles P-C4'-P energy: -116.577 tors. eta vs tors. theta energy: -197.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2346.170178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.170178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.170178 (E_RNA) where: Base-Base interactions energy: -1560.685 where: short stacking energy: -688.513 Base-Backbone interact. energy: -2.366 local terms energy: -783.119103 where: bonds (distance) C4'-P energy: -157.911 bonds (distance) P-C4' energy: -153.978 flat angles C4'-P-C4' energy: -165.604 flat angles P-C4'-P energy: -117.027 tors. eta vs tors. theta energy: -188.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2162.615395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.615395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.615395 (E_RNA) where: Base-Base interactions energy: -1435.808 where: short stacking energy: -603.841 Base-Backbone interact. energy: -0.075 local terms energy: -726.732251 where: bonds (distance) C4'-P energy: -154.306 bonds (distance) P-C4' energy: -147.340 flat angles C4'-P-C4' energy: -165.210 flat angles P-C4'-P energy: -106.831 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: 6, replica: 5 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1832.586283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.586283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.586283 (E_RNA) where: Base-Base interactions energy: -1240.577 where: short stacking energy: -545.973 Base-Backbone interact. energy: 3.838 local terms energy: -595.847028 where: bonds (distance) C4'-P energy: -125.292 bonds (distance) P-C4' energy: -127.506 flat angles C4'-P-C4' energy: -147.651 flat angles P-C4'-P energy: -81.239 tors. eta vs tors. theta energy: -114.159 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: 7 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1527.876946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.876946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.876946 (E_RNA) where: Base-Base interactions energy: -942.034 where: short stacking energy: -485.146 Base-Backbone interact. energy: 0.233 local terms energy: -586.076091 where: bonds (distance) C4'-P energy: -125.920 bonds (distance) P-C4' energy: -119.517 flat angles C4'-P-C4' energy: -153.100 flat angles P-C4'-P energy: -76.771 tors. eta vs tors. theta energy: -110.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1369.850394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.850394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.850394 (E_RNA) where: Base-Base interactions energy: -843.744 where: short stacking energy: -397.054 Base-Backbone interact. energy: -1.944 local terms energy: -524.162706 where: bonds (distance) C4'-P energy: -125.809 bonds (distance) P-C4' energy: -118.632 flat angles C4'-P-C4' energy: -136.644 flat angles P-C4'-P energy: -70.403 tors. eta vs tors. theta energy: -72.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -900.087547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.087547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.087547 (E_RNA) where: Base-Base interactions energy: -438.929 where: short stacking energy: -262.010 Base-Backbone interact. energy: -6.303 local terms energy: -454.855479 where: bonds (distance) C4'-P energy: -127.008 bonds (distance) P-C4' energy: -147.283 flat angles C4'-P-C4' energy: -113.166 flat angles P-C4'-P energy: -66.344 tors. eta vs tors. theta energy: -1.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -586.652948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.652948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.652948 (E_RNA) where: Base-Base interactions energy: -200.056 where: short stacking energy: -163.553 Base-Backbone interact. energy: -0.570 local terms energy: -386.027046 where: bonds (distance) C4'-P energy: -118.019 bonds (distance) P-C4' energy: -155.892 flat angles C4'-P-C4' energy: -75.872 flat angles P-C4'-P energy: -80.415 tors. eta vs tors. theta energy: 44.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2715.398385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.398385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.398385 (E_RNA) where: Base-Base interactions energy: -1840.862 where: short stacking energy: -809.734 Base-Backbone interact. energy: -5.109 local terms energy: -869.426955 where: bonds (distance) C4'-P energy: -159.784 bonds (distance) P-C4' energy: -162.735 flat angles C4'-P-C4' energy: -190.204 flat angles P-C4'-P energy: -129.011 tors. eta vs tors. theta energy: -227.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2673.281221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.281221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.281221 (E_RNA) where: Base-Base interactions energy: -1821.302 where: short stacking energy: -802.961 Base-Backbone interact. energy: -2.312 local terms energy: -849.667624 where: bonds (distance) C4'-P energy: -163.395 bonds (distance) P-C4' energy: -157.664 flat angles C4'-P-C4' energy: -175.562 flat angles P-C4'-P energy: -118.971 tors. eta vs tors. theta energy: -234.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2616.391334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.391334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.391334 (E_RNA) where: Base-Base interactions energy: -1832.115 where: short stacking energy: -764.897 Base-Backbone interact. energy: -1.944 local terms energy: -782.332458 where: bonds (distance) C4'-P energy: -159.926 bonds (distance) P-C4' energy: -147.094 flat angles C4'-P-C4' energy: -169.075 flat angles P-C4'-P energy: -110.038 tors. eta vs tors. theta energy: -196.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2366.333692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.333692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.333692 (E_RNA) where: Base-Base interactions energy: -1579.266 where: short stacking energy: -722.653 Base-Backbone interact. energy: -1.852 local terms energy: -785.215760 where: bonds (distance) C4'-P energy: -159.350 bonds (distance) P-C4' energy: -143.741 flat angles C4'-P-C4' energy: -175.726 flat angles P-C4'-P energy: -97.855 tors. eta vs tors. theta energy: -208.544 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: 378 Temperature: 1.100000 Total energy: -2193.968911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.968911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.968911 (E_RNA) where: Base-Base interactions energy: -1485.087 where: short stacking energy: -621.588 Base-Backbone interact. energy: -0.537 local terms energy: -708.345313 where: bonds (distance) C4'-P energy: -149.569 bonds (distance) P-C4' energy: -127.255 flat angles C4'-P-C4' energy: -161.569 flat angles P-C4'-P energy: -101.542 tors. eta vs tors. theta energy: -168.410 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: 5 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1905.689389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.689389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.689389 (E_RNA) where: Base-Base interactions energy: -1253.627 where: short stacking energy: -554.906 Base-Backbone interact. energy: -0.138 local terms energy: -651.924909 where: bonds (distance) C4'-P energy: -133.719 bonds (distance) P-C4' energy: -140.302 flat angles C4'-P-C4' energy: -169.329 flat angles P-C4'-P energy: -88.873 tors. eta vs tors. theta energy: -119.701 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: 7 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1505.559327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.559327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.559327 (E_RNA) where: Base-Base interactions energy: -874.931 where: short stacking energy: -429.774 Base-Backbone interact. energy: -4.317 local terms energy: -626.310989 where: bonds (distance) C4'-P energy: -151.389 bonds (distance) P-C4' energy: -150.549 flat angles C4'-P-C4' energy: -150.803 flat angles P-C4'-P energy: -81.013 tors. eta vs tors. theta energy: -92.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1354.711425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.711425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.711425 (E_RNA) where: Base-Base interactions energy: -822.142 where: short stacking energy: -375.273 Base-Backbone interact. energy: -5.053 local terms energy: -527.515967 where: bonds (distance) C4'-P energy: -143.278 bonds (distance) P-C4' energy: -140.116 flat angles C4'-P-C4' energy: -123.703 flat angles P-C4'-P energy: -78.606 tors. eta vs tors. theta energy: -41.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -914.932867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.932867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.932867 (E_RNA) where: Base-Base interactions energy: -454.772 where: short stacking energy: -236.962 Base-Backbone interact. energy: 3.293 local terms energy: -463.452997 where: bonds (distance) C4'-P energy: -146.623 bonds (distance) P-C4' energy: -130.730 flat angles C4'-P-C4' energy: -110.545 flat angles P-C4'-P energy: -74.167 tors. eta vs tors. theta energy: -1.389 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: 10 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -649.056725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.056725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.056725 (E_RNA) where: Base-Base interactions energy: -243.926 where: short stacking energy: -210.066 Base-Backbone interact. energy: 6.125 local terms energy: -411.256335 where: bonds (distance) C4'-P energy: -110.557 bonds (distance) P-C4' energy: -129.846 flat angles C4'-P-C4' energy: -103.251 flat angles P-C4'-P energy: -60.924 tors. eta vs tors. theta energy: -6.677 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: 3 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2696.969997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.969997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.969997 (E_RNA) where: Base-Base interactions energy: -1853.272 where: short stacking energy: -785.562 Base-Backbone interact. energy: -2.269 local terms energy: -841.428357 where: bonds (distance) C4'-P energy: -157.357 bonds (distance) P-C4' energy: -169.551 flat angles C4'-P-C4' energy: -174.416 flat angles P-C4'-P energy: -124.731 tors. eta vs tors. theta energy: -215.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2622.860802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.860802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.860802 (E_RNA) where: Base-Base interactions energy: -1764.243 where: short stacking energy: -780.756 Base-Backbone interact. energy: -5.431 local terms energy: -853.186171 where: bonds (distance) C4'-P energy: -149.432 bonds (distance) P-C4' energy: -167.850 flat angles C4'-P-C4' energy: -181.426 flat angles P-C4'-P energy: -119.945 tors. eta vs tors. theta energy: -234.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2583.505898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.505898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.505898 (E_RNA) where: Base-Base interactions energy: -1795.123 where: short stacking energy: -769.465 Base-Backbone interact. energy: -6.250 local terms energy: -782.132869 where: bonds (distance) C4'-P energy: -145.542 bonds (distance) P-C4' energy: -136.884 flat angles C4'-P-C4' energy: -188.727 flat angles P-C4'-P energy: -122.010 tors. eta vs tors. theta energy: -188.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2342.726193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.726193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.726193 (E_RNA) where: Base-Base interactions energy: -1565.086 where: short stacking energy: -721.360 Base-Backbone interact. energy: -0.059 local terms energy: -777.581101 where: bonds (distance) C4'-P energy: -156.665 bonds (distance) P-C4' energy: -133.880 flat angles C4'-P-C4' energy: -177.502 flat angles P-C4'-P energy: -103.538 tors. eta vs tors. theta energy: -205.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2166.425328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.425328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.425328 (E_RNA) where: Base-Base interactions energy: -1452.150 where: short stacking energy: -599.568 Base-Backbone interact. energy: 4.301 local terms energy: -718.576530 where: bonds (distance) C4'-P energy: -158.868 bonds (distance) P-C4' energy: -147.210 flat angles C4'-P-C4' energy: -162.042 flat angles P-C4'-P energy: -108.163 tors. eta vs tors. theta energy: -142.294 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: 5 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1945.883021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.883021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.883021 (E_RNA) where: Base-Base interactions energy: -1286.851 where: short stacking energy: -563.704 Base-Backbone interact. energy: -3.713 local terms energy: -655.319114 where: bonds (distance) C4'-P energy: -131.128 bonds (distance) P-C4' energy: -157.624 flat angles C4'-P-C4' energy: -167.907 flat angles P-C4'-P energy: -81.796 tors. eta vs tors. theta energy: -116.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1433.331151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.331151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.331151 (E_RNA) where: Base-Base interactions energy: -859.659 where: short stacking energy: -434.510 Base-Backbone interact. energy: -1.405 local terms energy: -572.267203 where: bonds (distance) C4'-P energy: -146.613 bonds (distance) P-C4' energy: -140.767 flat angles C4'-P-C4' energy: -133.682 flat angles P-C4'-P energy: -70.500 tors. eta vs tors. theta energy: -80.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1350.338683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.338683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.338683 (E_RNA) where: Base-Base interactions energy: -825.849 where: short stacking energy: -424.444 Base-Backbone interact. energy: -5.362 local terms energy: -519.127948 where: bonds (distance) C4'-P energy: -131.199 bonds (distance) P-C4' energy: -126.204 flat angles C4'-P-C4' energy: -127.707 flat angles P-C4'-P energy: -77.911 tors. eta vs tors. theta energy: -56.108 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: 6 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -904.215791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.215791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.215791 (E_RNA) where: Base-Base interactions energy: -437.987 where: short stacking energy: -249.041 Base-Backbone interact. energy: -1.679 local terms energy: -464.549806 where: bonds (distance) C4'-P energy: -125.202 bonds (distance) P-C4' energy: -137.070 flat angles C4'-P-C4' energy: -120.786 flat angles P-C4'-P energy: -63.043 tors. eta vs tors. theta energy: -18.448 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: 10 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -603.798410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.798410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.798410 (E_RNA) where: Base-Base interactions energy: -198.968 where: short stacking energy: -164.986 Base-Backbone interact. energy: 2.655 local terms energy: -407.485713 where: bonds (distance) C4'-P energy: -131.367 bonds (distance) P-C4' energy: -154.492 flat angles C4'-P-C4' energy: -105.361 flat angles P-C4'-P energy: -63.767 tors. eta vs tors. theta energy: 47.500 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: 3 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2694.412756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.412756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.412756 (E_RNA) where: Base-Base interactions energy: -1850.308 where: short stacking energy: -798.627 Base-Backbone interact. energy: 0.131 local terms energy: -844.235796 where: bonds (distance) C4'-P energy: -151.376 bonds (distance) P-C4' energy: -155.363 flat angles C4'-P-C4' energy: -184.321 flat angles P-C4'-P energy: -127.838 tors. eta vs tors. theta energy: -225.338 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: 2 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2629.716489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.716489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.716489 (E_RNA) where: Base-Base interactions energy: -1815.504 where: short stacking energy: -820.846 Base-Backbone interact. energy: 4.387 local terms energy: -818.600139 where: bonds (distance) C4'-P energy: -154.724 bonds (distance) P-C4' energy: -154.708 flat angles C4'-P-C4' energy: -165.200 flat angles P-C4'-P energy: -120.377 tors. eta vs tors. theta energy: -223.591 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: 9 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2552.495919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.495919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.495919 (E_RNA) where: Base-Base interactions energy: -1739.138 where: short stacking energy: -760.605 Base-Backbone interact. energy: -3.905 local terms energy: -809.452888 where: bonds (distance) C4'-P energy: -154.284 bonds (distance) P-C4' energy: -164.638 flat angles C4'-P-C4' energy: -160.931 flat angles P-C4'-P energy: -135.197 tors. eta vs tors. theta energy: -194.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2442.598333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.598333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.598333 (E_RNA) where: Base-Base interactions energy: -1621.106 where: short stacking energy: -706.384 Base-Backbone interact. energy: -5.097 local terms energy: -816.395255 where: bonds (distance) C4'-P energy: -144.856 bonds (distance) P-C4' energy: -163.114 flat angles C4'-P-C4' energy: -182.504 flat angles P-C4'-P energy: -107.970 tors. eta vs tors. theta energy: -217.951 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: 5, replica: 4 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2164.294595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.294595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.294595 (E_RNA) where: Base-Base interactions energy: -1434.452 where: short stacking energy: -628.548 Base-Backbone interact. energy: -1.407 local terms energy: -728.435693 where: bonds (distance) C4'-P energy: -145.291 bonds (distance) P-C4' energy: -135.230 flat angles C4'-P-C4' energy: -162.570 flat angles P-C4'-P energy: -124.578 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: 6, replica: 5 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1925.733123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.733123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.733123 (E_RNA) where: Base-Base interactions energy: -1260.874 where: short stacking energy: -530.423 Base-Backbone interact. energy: 3.595 local terms energy: -668.453335 where: bonds (distance) C4'-P energy: -143.106 bonds (distance) P-C4' energy: -116.983 flat angles C4'-P-C4' energy: -167.242 flat angles P-C4'-P energy: -105.539 tors. eta vs tors. theta energy: -135.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1486.049562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.049562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.049562 (E_RNA) where: Base-Base interactions energy: -891.676 where: short stacking energy: -404.621 Base-Backbone interact. energy: -3.072 local terms energy: -591.300711 where: bonds (distance) C4'-P energy: -136.672 bonds (distance) P-C4' energy: -140.521 flat angles C4'-P-C4' energy: -149.274 flat angles P-C4'-P energy: -89.133 tors. eta vs tors. theta energy: -75.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1387.417272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.417272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.417272 (E_RNA) where: Base-Base interactions energy: -842.346 where: short stacking energy: -373.771 Base-Backbone interact. energy: 4.070 local terms energy: -549.141626 where: bonds (distance) C4'-P energy: -143.020 bonds (distance) P-C4' energy: -153.809 flat angles C4'-P-C4' energy: -133.047 flat angles P-C4'-P energy: -72.367 tors. eta vs tors. theta energy: -46.898 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: 6 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -855.770311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.770311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.770311 (E_RNA) where: Base-Base interactions energy: -407.878 where: short stacking energy: -267.810 Base-Backbone interact. energy: 14.130 local terms energy: -462.022553 where: bonds (distance) C4'-P energy: -125.337 bonds (distance) P-C4' energy: -142.376 flat angles C4'-P-C4' energy: -111.715 flat angles P-C4'-P energy: -65.331 tors. eta vs tors. theta energy: -17.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -642.578910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.578910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.578910 (E_RNA) where: Base-Base interactions energy: -250.322 where: short stacking energy: -209.034 Base-Backbone interact. energy: -1.859 local terms energy: -390.397773 where: bonds (distance) C4'-P energy: -130.306 bonds (distance) P-C4' energy: -139.061 flat angles C4'-P-C4' energy: -93.990 flat angles P-C4'-P energy: -48.681 tors. eta vs tors. theta energy: 21.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2718.089139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.089139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.089139 (E_RNA) where: Base-Base interactions energy: -1873.612 where: short stacking energy: -835.850 Base-Backbone interact. energy: 0.443 local terms energy: -844.919359 where: bonds (distance) C4'-P energy: -154.755 bonds (distance) P-C4' energy: -158.840 flat angles C4'-P-C4' energy: -181.955 flat angles P-C4'-P energy: -123.653 tors. eta vs tors. theta energy: -225.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2610.483369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.483369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.483369 (E_RNA) where: Base-Base interactions energy: -1760.000 where: short stacking energy: -773.919 Base-Backbone interact. energy: -4.323 local terms energy: -846.160225 where: bonds (distance) C4'-P energy: -153.878 bonds (distance) P-C4' energy: -173.022 flat angles C4'-P-C4' energy: -175.465 flat angles P-C4'-P energy: -130.356 tors. eta vs tors. theta energy: -213.439 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: 9 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2545.915883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.915883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.915883 (E_RNA) where: Base-Base interactions energy: -1747.398 where: short stacking energy: -734.146 Base-Backbone interact. energy: -2.931 local terms energy: -795.586159 where: bonds (distance) C4'-P energy: -148.468 bonds (distance) P-C4' energy: -157.043 flat angles C4'-P-C4' energy: -184.354 flat angles P-C4'-P energy: -109.100 tors. eta vs tors. theta energy: -196.622 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: 1 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2423.985449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.985449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.985449 (E_RNA) where: Base-Base interactions energy: -1637.192 where: short stacking energy: -760.201 Base-Backbone interact. energy: -4.995 local terms energy: -781.798609 where: bonds (distance) C4'-P energy: -141.827 bonds (distance) P-C4' energy: -147.610 flat angles C4'-P-C4' energy: -171.263 flat angles P-C4'-P energy: -100.500 tors. eta vs tors. theta energy: -220.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2170.719358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.719358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.719358 (E_RNA) where: Base-Base interactions energy: -1447.938 where: short stacking energy: -630.881 Base-Backbone interact. energy: -1.934 local terms energy: -720.847737 where: bonds (distance) C4'-P energy: -157.443 bonds (distance) P-C4' energy: -136.289 flat angles C4'-P-C4' energy: -161.458 flat angles P-C4'-P energy: -100.810 tors. eta vs tors. theta energy: -164.847 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: 6, replica: 5 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1959.281090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.281090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.281090 (E_RNA) where: Base-Base interactions energy: -1281.495 where: short stacking energy: -541.164 Base-Backbone interact. energy: -0.686 local terms energy: -677.099973 where: bonds (distance) C4'-P energy: -147.911 bonds (distance) P-C4' energy: -153.022 flat angles C4'-P-C4' energy: -147.892 flat angles P-C4'-P energy: -98.528 tors. eta vs tors. theta energy: -129.746 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: 7 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1542.815197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.815197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.815197 (E_RNA) where: Base-Base interactions energy: -965.861 where: short stacking energy: -452.383 Base-Backbone interact. energy: -0.022 local terms energy: -576.932800 where: bonds (distance) C4'-P energy: -130.349 bonds (distance) P-C4' energy: -132.656 flat angles C4'-P-C4' energy: -133.005 flat angles P-C4'-P energy: -89.330 tors. eta vs tors. theta energy: -91.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1349.618221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.618221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.618221 (E_RNA) where: Base-Base interactions energy: -841.102 where: short stacking energy: -395.378 Base-Backbone interact. energy: -2.826 local terms energy: -505.690025 where: bonds (distance) C4'-P energy: -137.580 bonds (distance) P-C4' energy: -103.907 flat angles C4'-P-C4' energy: -118.660 flat angles P-C4'-P energy: -89.384 tors. eta vs tors. theta energy: -56.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -844.702700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.702700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.702700 (E_RNA) where: Base-Base interactions energy: -400.704 where: short stacking energy: -268.506 Base-Backbone interact. energy: -2.111 local terms energy: -441.888511 where: bonds (distance) C4'-P energy: -138.923 bonds (distance) P-C4' energy: -139.889 flat angles C4'-P-C4' energy: -108.382 flat angles P-C4'-P energy: -59.832 tors. eta vs tors. theta energy: 5.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -631.512232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.512232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.512232 (E_RNA) where: Base-Base interactions energy: -223.125 where: short stacking energy: -152.872 Base-Backbone interact. energy: 2.377 local terms energy: -410.763915 where: bonds (distance) C4'-P energy: -151.171 bonds (distance) P-C4' energy: -122.754 flat angles C4'-P-C4' energy: -117.337 flat angles P-C4'-P energy: -62.057 tors. eta vs tors. theta energy: 42.555 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: 1, replica: 3 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2706.799484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.799484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.799484 (E_RNA) where: Base-Base interactions energy: -1848.690 where: short stacking energy: -793.644 Base-Backbone interact. energy: -7.381 local terms energy: -850.729080 where: bonds (distance) C4'-P energy: -153.121 bonds (distance) P-C4' energy: -153.196 flat angles C4'-P-C4' energy: -191.617 flat angles P-C4'-P energy: -130.035 tors. eta vs tors. theta energy: -222.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2568.216465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.216465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.216465 (E_RNA) where: Base-Base interactions energy: -1740.417 where: short stacking energy: -776.006 Base-Backbone interact. energy: -2.341 local terms energy: -825.457753 where: bonds (distance) C4'-P energy: -163.096 bonds (distance) P-C4' energy: -152.212 flat angles C4'-P-C4' energy: -175.960 flat angles P-C4'-P energy: -124.998 tors. eta vs tors. theta energy: -209.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2477.529291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.529291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.529291 (E_RNA) where: Base-Base interactions energy: -1711.744 where: short stacking energy: -713.983 Base-Backbone interact. energy: -3.109 local terms energy: -762.675939 where: bonds (distance) C4'-P energy: -135.709 bonds (distance) P-C4' energy: -151.928 flat angles C4'-P-C4' energy: -165.159 flat angles P-C4'-P energy: -114.243 tors. eta vs tors. theta energy: -195.637 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: 1 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2432.072999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.072999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.072999 (E_RNA) where: Base-Base interactions energy: -1685.171 where: short stacking energy: -770.321 Base-Backbone interact. energy: 0.949 local terms energy: -747.851759 where: bonds (distance) C4'-P energy: -136.491 bonds (distance) P-C4' energy: -128.779 flat angles C4'-P-C4' energy: -168.361 flat angles P-C4'-P energy: -94.177 tors. eta vs tors. theta energy: -220.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2158.511807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.511807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.511807 (E_RNA) where: Base-Base interactions energy: -1462.469 where: short stacking energy: -636.501 Base-Backbone interact. energy: 2.091 local terms energy: -698.134561 where: bonds (distance) C4'-P energy: -134.237 bonds (distance) P-C4' energy: -154.950 flat angles C4'-P-C4' energy: -148.907 flat angles P-C4'-P energy: -104.105 tors. eta vs tors. theta energy: -155.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1984.182185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.182185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.182185 (E_RNA) where: Base-Base interactions energy: -1336.146 where: short stacking energy: -554.063 Base-Backbone interact. energy: 2.089 local terms energy: -650.124751 where: bonds (distance) C4'-P energy: -121.853 bonds (distance) P-C4' energy: -143.953 flat angles C4'-P-C4' energy: -161.071 flat angles P-C4'-P energy: -99.970 tors. eta vs tors. theta energy: -123.279 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: 382 Temperature: 1.200000 Total energy: -1511.564161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.564161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.564161 (E_RNA) where: Base-Base interactions energy: -923.357 where: short stacking energy: -447.551 Base-Backbone interact. energy: -1.232 local terms energy: -586.975826 where: bonds (distance) C4'-P energy: -146.358 bonds (distance) P-C4' energy: -130.809 flat angles C4'-P-C4' energy: -132.177 flat angles P-C4'-P energy: -92.969 tors. eta vs tors. theta energy: -84.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1357.281025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.281025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.281025 (E_RNA) where: Base-Base interactions energy: -842.065 where: short stacking energy: -376.397 Base-Backbone interact. energy: -2.010 local terms energy: -513.205843 where: bonds (distance) C4'-P energy: -132.190 bonds (distance) P-C4' energy: -129.407 flat angles C4'-P-C4' energy: -130.054 flat angles P-C4'-P energy: -73.497 tors. eta vs tors. theta energy: -48.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -870.615033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.615033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.615033 (E_RNA) where: Base-Base interactions energy: -409.647 where: short stacking energy: -265.872 Base-Backbone interact. energy: -1.456 local terms energy: -459.512214 where: bonds (distance) C4'-P energy: -109.366 bonds (distance) P-C4' energy: -158.318 flat angles C4'-P-C4' energy: -116.894 flat angles P-C4'-P energy: -73.356 tors. eta vs tors. theta energy: -1.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -602.653281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.653281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.653281 (E_RNA) where: Base-Base interactions energy: -205.326 where: short stacking energy: -136.747 Base-Backbone interact. energy: -0.705 local terms energy: -396.622531 where: bonds (distance) C4'-P energy: -139.957 bonds (distance) P-C4' energy: -145.160 flat angles C4'-P-C4' energy: -115.294 flat angles P-C4'-P energy: -39.369 tors. eta vs tors. theta energy: 43.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -2735.216556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.216556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.216556 (E_RNA) where: Base-Base interactions energy: -1857.562 where: short stacking energy: -798.970 Base-Backbone interact. energy: -3.472 local terms energy: -874.181853 where: bonds (distance) C4'-P energy: -160.729 bonds (distance) P-C4' energy: -171.280 flat angles C4'-P-C4' energy: -187.098 flat angles P-C4'-P energy: -128.972 tors. eta vs tors. theta energy: -226.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2532.022987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.022987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.022987 (E_RNA) where: Base-Base interactions energy: -1729.965 where: short stacking energy: -739.012 Base-Backbone interact. energy: -2.086 local terms energy: -799.972039 where: bonds (distance) C4'-P energy: -141.145 bonds (distance) P-C4' energy: -164.596 flat angles C4'-P-C4' energy: -177.239 flat angles P-C4'-P energy: -103.631 tors. eta vs tors. theta energy: -213.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2478.294220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.294220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.294220 (E_RNA) where: Base-Base interactions energy: -1701.667 where: short stacking energy: -707.336 Base-Backbone interact. energy: 0.728 local terms energy: -777.354807 where: bonds (distance) C4'-P energy: -161.928 bonds (distance) P-C4' energy: -152.473 flat angles C4'-P-C4' energy: -168.068 flat angles P-C4'-P energy: -108.932 tors. eta vs tors. theta energy: -185.954 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: 1 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2417.915747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.915747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.915747 (E_RNA) where: Base-Base interactions energy: -1649.174 where: short stacking energy: -721.117 Base-Backbone interact. energy: -3.596 local terms energy: -765.146204 where: bonds (distance) C4'-P energy: -158.432 bonds (distance) P-C4' energy: -136.218 flat angles C4'-P-C4' energy: -168.074 flat angles P-C4'-P energy: -96.194 tors. eta vs tors. theta energy: -206.228 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: 383 Temperature: 1.100000 Total energy: -2156.160105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.160105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.160105 (E_RNA) where: Base-Base interactions energy: -1450.126 where: short stacking energy: -619.106 Base-Backbone interact. energy: -2.204 local terms energy: -703.830175 where: bonds (distance) C4'-P energy: -145.240 bonds (distance) P-C4' energy: -146.889 flat angles C4'-P-C4' energy: -158.986 flat angles P-C4'-P energy: -109.284 tors. eta vs tors. theta energy: -143.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1965.787407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.787407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.787407 (E_RNA) where: Base-Base interactions energy: -1304.341 where: short stacking energy: -554.604 Base-Backbone interact. energy: -2.841 local terms energy: -658.605808 where: bonds (distance) C4'-P energy: -131.389 bonds (distance) P-C4' energy: -144.112 flat angles C4'-P-C4' energy: -162.038 flat angles P-C4'-P energy: -102.878 tors. eta vs tors. theta energy: -118.190 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: 7, replica: 7 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1576.279936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.279936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.279936 (E_RNA) where: Base-Base interactions energy: -982.100 where: short stacking energy: -459.110 Base-Backbone interact. energy: 3.240 local terms energy: -597.420029 where: bonds (distance) C4'-P energy: -124.522 bonds (distance) P-C4' energy: -144.007 flat angles C4'-P-C4' energy: -141.622 flat angles P-C4'-P energy: -92.497 tors. eta vs tors. theta energy: -94.772 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: 8 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1399.212896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.212896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.212896 (E_RNA) where: Base-Base interactions energy: -874.174 where: short stacking energy: -407.192 Base-Backbone interact. energy: -3.625 local terms energy: -521.413723 where: bonds (distance) C4'-P energy: -133.990 bonds (distance) P-C4' energy: -124.077 flat angles C4'-P-C4' energy: -127.331 flat angles P-C4'-P energy: -75.075 tors. eta vs tors. theta energy: -60.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -883.660164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.660164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.660164 (E_RNA) where: Base-Base interactions energy: -410.325 where: short stacking energy: -243.566 Base-Backbone interact. energy: 1.842 local terms energy: -475.177914 where: bonds (distance) C4'-P energy: -140.935 bonds (distance) P-C4' energy: -149.190 flat angles C4'-P-C4' energy: -118.673 flat angles P-C4'-P energy: -52.205 tors. eta vs tors. theta energy: -14.175 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: 10 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -628.857747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.857747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.857747 (E_RNA) where: Base-Base interactions energy: -213.196 where: short stacking energy: -178.938 Base-Backbone interact. energy: 6.390 local terms energy: -422.052060 where: bonds (distance) C4'-P energy: -126.642 bonds (distance) P-C4' energy: -141.269 flat angles C4'-P-C4' energy: -119.876 flat angles P-C4'-P energy: -77.976 tors. eta vs tors. theta energy: 43.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2742.853343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.853343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.853343 (E_RNA) where: Base-Base interactions energy: -1889.998 where: short stacking energy: -816.401 Base-Backbone interact. energy: -0.854 local terms energy: -852.001304 where: bonds (distance) C4'-P energy: -165.835 bonds (distance) P-C4' energy: -148.627 flat angles C4'-P-C4' energy: -191.248 flat angles P-C4'-P energy: -124.035 tors. eta vs tors. theta energy: -222.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2591.794961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.794961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.794961 (E_RNA) where: Base-Base interactions energy: -1741.811 where: short stacking energy: -776.527 Base-Backbone interact. energy: -5.847 local terms energy: -844.137764 where: bonds (distance) C4'-P energy: -150.353 bonds (distance) P-C4' energy: -170.009 flat angles C4'-P-C4' energy: -189.921 flat angles P-C4'-P energy: -119.424 tors. eta vs tors. theta energy: -214.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2483.855604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.855604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.855604 (E_RNA) where: Base-Base interactions energy: -1709.325 where: short stacking energy: -758.811 Base-Backbone interact. energy: -3.317 local terms energy: -771.213298 where: bonds (distance) C4'-P energy: -146.228 bonds (distance) P-C4' energy: -130.253 flat angles C4'-P-C4' energy: -175.258 flat angles P-C4'-P energy: -113.654 tors. eta vs tors. theta energy: -205.820 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: 9 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2392.031370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.031370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.031370 (E_RNA) where: Base-Base interactions energy: -1666.854 where: short stacking energy: -665.497 Base-Backbone interact. energy: -5.356 local terms energy: -719.820932 where: bonds (distance) C4'-P energy: -128.406 bonds (distance) P-C4' energy: -146.315 flat angles C4'-P-C4' energy: -169.345 flat angles P-C4'-P energy: -90.246 tors. eta vs tors. theta energy: -185.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2165.529255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.529255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.529255 (E_RNA) where: Base-Base interactions energy: -1434.540 where: short stacking energy: -638.754 Base-Backbone interact. energy: -4.213 local terms energy: -726.776898 where: bonds (distance) C4'-P energy: -157.558 bonds (distance) P-C4' energy: -149.725 flat angles C4'-P-C4' energy: -158.021 flat angles P-C4'-P energy: -98.813 tors. eta vs tors. theta energy: -162.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1991.633983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.633983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.633983 (E_RNA) where: Base-Base interactions energy: -1319.600 where: short stacking energy: -563.514 Base-Backbone interact. energy: -3.167 local terms energy: -668.867038 where: bonds (distance) C4'-P energy: -147.555 bonds (distance) P-C4' energy: -143.333 flat angles C4'-P-C4' energy: -149.666 flat angles P-C4'-P energy: -96.129 tors. eta vs tors. theta energy: -132.184 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: 7 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1563.771132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.771132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.771132 (E_RNA) where: Base-Base interactions energy: -980.920 where: short stacking energy: -479.184 Base-Backbone interact. energy: 1.677 local terms energy: -584.527899 where: bonds (distance) C4'-P energy: -142.866 bonds (distance) P-C4' energy: -147.913 flat angles C4'-P-C4' energy: -123.219 flat angles P-C4'-P energy: -76.526 tors. eta vs tors. theta energy: -94.004 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: 384 Temperature: 1.250000 Total energy: -1417.130443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.130443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.130443 (E_RNA) where: Base-Base interactions energy: -841.823 where: short stacking energy: -404.583 Base-Backbone interact. energy: -0.654 local terms energy: -574.654104 where: bonds (distance) C4'-P energy: -121.361 bonds (distance) P-C4' energy: -155.374 flat angles C4'-P-C4' energy: -147.704 flat angles P-C4'-P energy: -86.991 tors. eta vs tors. theta energy: -63.225 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: 6 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -943.575517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.575517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.575517 (E_RNA) where: Base-Base interactions energy: -478.435 where: short stacking energy: -284.722 Base-Backbone interact. energy: 3.244 local terms energy: -468.384940 where: bonds (distance) C4'-P energy: -138.156 bonds (distance) P-C4' energy: -138.894 flat angles C4'-P-C4' energy: -113.613 flat angles P-C4'-P energy: -83.892 tors. eta vs tors. theta energy: 6.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -598.066718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.066718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.066718 (E_RNA) where: Base-Base interactions energy: -187.807 where: short stacking energy: -180.424 Base-Backbone interact. energy: 0.119 local terms energy: -410.378238 where: bonds (distance) C4'-P energy: -122.376 bonds (distance) P-C4' energy: -108.418 flat angles C4'-P-C4' energy: -111.536 flat angles P-C4'-P energy: -86.531 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: 1, replica: 3 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2692.378798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.378798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.378798 (E_RNA) where: Base-Base interactions energy: -1875.368 where: short stacking energy: -785.693 Base-Backbone interact. energy: -4.790 local terms energy: -812.221113 where: bonds (distance) C4'-P energy: -149.430 bonds (distance) P-C4' energy: -152.117 flat angles C4'-P-C4' energy: -184.510 flat angles P-C4'-P energy: -112.822 tors. eta vs tors. theta energy: -213.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2586.807064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.807064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.807064 (E_RNA) where: Base-Base interactions energy: -1777.623 where: short stacking energy: -779.834 Base-Backbone interact. energy: 0.436 local terms energy: -809.619856 where: bonds (distance) C4'-P energy: -156.516 bonds (distance) P-C4' energy: -161.430 flat angles C4'-P-C4' energy: -162.293 flat angles P-C4'-P energy: -114.586 tors. eta vs tors. theta energy: -214.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2523.662848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.662848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.662848 (E_RNA) where: Base-Base interactions energy: -1683.664 where: short stacking energy: -781.354 Base-Backbone interact. energy: -4.530 local terms energy: -835.469390 where: bonds (distance) C4'-P energy: -150.469 bonds (distance) P-C4' energy: -165.989 flat angles C4'-P-C4' energy: -178.239 flat angles P-C4'-P energy: -129.007 tors. eta vs tors. theta energy: -211.766 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: 4, replica: 9 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2343.407212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.407212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.407212 (E_RNA) where: Base-Base interactions energy: -1594.495 where: short stacking energy: -688.222 Base-Backbone interact. energy: -3.366 local terms energy: -745.546403 where: bonds (distance) C4'-P energy: -135.162 bonds (distance) P-C4' energy: -155.293 flat angles C4'-P-C4' energy: -169.835 flat angles P-C4'-P energy: -108.410 tors. eta vs tors. theta energy: -176.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2149.783873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.783873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.783873 (E_RNA) where: Base-Base interactions energy: -1393.455 where: short stacking energy: -604.387 Base-Backbone interact. energy: -4.315 local terms energy: -752.013444 where: bonds (distance) C4'-P energy: -140.141 bonds (distance) P-C4' energy: -170.757 flat angles C4'-P-C4' energy: -160.318 flat angles P-C4'-P energy: -119.504 tors. eta vs tors. theta energy: -161.293 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: 5 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1927.401741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.401741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.401741 (E_RNA) where: Base-Base interactions energy: -1284.327 where: short stacking energy: -553.168 Base-Backbone interact. energy: -3.800 local terms energy: -639.274408 where: bonds (distance) C4'-P energy: -144.008 bonds (distance) P-C4' energy: -138.687 flat angles C4'-P-C4' energy: -137.740 flat angles P-C4'-P energy: -107.579 tors. eta vs tors. theta energy: -111.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1499.948883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.948883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.948883 (E_RNA) where: Base-Base interactions energy: -913.012 where: short stacking energy: -444.251 Base-Backbone interact. energy: -3.209 local terms energy: -583.727822 where: bonds (distance) C4'-P energy: -134.955 bonds (distance) P-C4' energy: -135.800 flat angles C4'-P-C4' energy: -142.427 flat angles P-C4'-P energy: -83.856 tors. eta vs tors. theta energy: -86.691 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: 8 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1397.586484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.586484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.586484 (E_RNA) where: Base-Base interactions energy: -823.564 where: short stacking energy: -410.588 Base-Backbone interact. energy: 0.864 local terms energy: -574.886116 where: bonds (distance) C4'-P energy: -140.901 bonds (distance) P-C4' energy: -135.575 flat angles C4'-P-C4' energy: -145.006 flat angles P-C4'-P energy: -90.184 tors. eta vs tors. theta energy: -63.219 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: 6 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -921.546807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.546807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.546807 (E_RNA) where: Base-Base interactions energy: -424.391 where: short stacking energy: -255.067 Base-Backbone interact. energy: 4.429 local terms energy: -501.585549 where: bonds (distance) C4'-P energy: -145.973 bonds (distance) P-C4' energy: -147.291 flat angles C4'-P-C4' energy: -124.249 flat angles P-C4'-P energy: -77.665 tors. eta vs tors. theta energy: -6.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -607.539877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.539877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.539877 (E_RNA) where: Base-Base interactions energy: -207.022 where: short stacking energy: -182.325 Base-Backbone interact. energy: 2.939 local terms energy: -403.456614 where: bonds (distance) C4'-P energy: -144.406 bonds (distance) P-C4' energy: -128.247 flat angles C4'-P-C4' energy: -101.045 flat angles P-C4'-P energy: -63.908 tors. eta vs tors. theta energy: 34.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2726.300701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.300701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.300701 (E_RNA) where: Base-Base interactions energy: -1857.726 where: short stacking energy: -792.957 Base-Backbone interact. energy: -7.898 local terms energy: -860.677178 where: bonds (distance) C4'-P energy: -153.164 bonds (distance) P-C4' energy: -172.315 flat angles C4'-P-C4' energy: -184.929 flat angles P-C4'-P energy: -120.238 tors. eta vs tors. theta energy: -230.031 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: 2 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2610.280473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.280473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.280473 (E_RNA) where: Base-Base interactions energy: -1788.862 where: short stacking energy: -739.408 Base-Backbone interact. energy: 2.679 local terms energy: -824.098142 where: bonds (distance) C4'-P energy: -148.040 bonds (distance) P-C4' energy: -163.756 flat angles C4'-P-C4' energy: -185.612 flat angles P-C4'-P energy: -130.308 tors. eta vs tors. theta energy: -196.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2506.670155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.670155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.670155 (E_RNA) where: Base-Base interactions energy: -1687.834 where: short stacking energy: -758.714 Base-Backbone interact. energy: -2.546 local terms energy: -816.290327 where: bonds (distance) C4'-P energy: -150.485 bonds (distance) P-C4' energy: -147.295 flat angles C4'-P-C4' energy: -186.159 flat angles P-C4'-P energy: -110.633 tors. eta vs tors. theta energy: -221.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2309.317832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.317832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.317832 (E_RNA) where: Base-Base interactions energy: -1578.116 where: short stacking energy: -657.634 Base-Backbone interact. energy: 0.026 local terms energy: -731.227497 where: bonds (distance) C4'-P energy: -155.363 bonds (distance) P-C4' energy: -154.462 flat angles C4'-P-C4' energy: -157.483 flat angles P-C4'-P energy: -98.450 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: 5, replica: 4 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2196.012061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.012061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.012061 (E_RNA) where: Base-Base interactions energy: -1460.905 where: short stacking energy: -615.593 Base-Backbone interact. energy: -1.383 local terms energy: -733.723577 where: bonds (distance) C4'-P energy: -145.833 bonds (distance) P-C4' energy: -165.343 flat angles C4'-P-C4' energy: -165.553 flat angles P-C4'-P energy: -82.490 tors. eta vs tors. theta energy: -174.505 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: 386 Temperature: 1.150000 Total energy: -1913.467375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.467375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.467375 (E_RNA) where: Base-Base interactions energy: -1264.924 where: short stacking energy: -542.776 Base-Backbone interact. energy: -2.809 local terms energy: -645.734829 where: bonds (distance) C4'-P energy: -135.002 bonds (distance) P-C4' energy: -135.038 flat angles C4'-P-C4' energy: -153.618 flat angles P-C4'-P energy: -110.033 tors. eta vs tors. theta energy: -112.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1543.930043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.930043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.930043 (E_RNA) where: Base-Base interactions energy: -915.384 where: short stacking energy: -453.095 Base-Backbone interact. energy: 1.449 local terms energy: -629.995749 where: bonds (distance) C4'-P energy: -146.869 bonds (distance) P-C4' energy: -136.924 flat angles C4'-P-C4' energy: -149.048 flat angles P-C4'-P energy: -96.891 tors. eta vs tors. theta energy: -100.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1304.670666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.670666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.670666 (E_RNA) where: Base-Base interactions energy: -769.821 where: short stacking energy: -374.586 Base-Backbone interact. energy: -0.498 local terms energy: -534.351998 where: bonds (distance) C4'-P energy: -119.841 bonds (distance) P-C4' energy: -156.810 flat angles C4'-P-C4' energy: -134.962 flat angles P-C4'-P energy: -81.954 tors. eta vs tors. theta energy: -40.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -861.676176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.676176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.676176 (E_RNA) where: Base-Base interactions energy: -398.491 where: short stacking energy: -240.091 Base-Backbone interact. energy: -1.922 local terms energy: -461.263478 where: bonds (distance) C4'-P energy: -116.072 bonds (distance) P-C4' energy: -139.469 flat angles C4'-P-C4' energy: -131.533 flat angles P-C4'-P energy: -78.215 tors. eta vs tors. theta energy: 4.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -637.390009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.390009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.390009 (E_RNA) where: Base-Base interactions energy: -235.552 where: short stacking energy: -190.029 Base-Backbone interact. energy: 0.706 local terms energy: -402.544229 where: bonds (distance) C4'-P energy: -130.830 bonds (distance) P-C4' energy: -124.288 flat angles C4'-P-C4' energy: -92.341 flat angles P-C4'-P energy: -53.684 tors. eta vs tors. theta energy: -1.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2702.526995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.526995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.526995 (E_RNA) where: Base-Base interactions energy: -1839.137 where: short stacking energy: -794.879 Base-Backbone interact. energy: 2.102 local terms energy: -865.492250 where: bonds (distance) C4'-P energy: -157.022 bonds (distance) P-C4' energy: -171.154 flat angles C4'-P-C4' energy: -186.171 flat angles P-C4'-P energy: -124.978 tors. eta vs tors. theta energy: -226.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2608.154939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.154939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.154939 (E_RNA) where: Base-Base interactions energy: -1790.027 where: short stacking energy: -758.608 Base-Backbone interact. energy: -3.575 local terms energy: -814.553159 where: bonds (distance) C4'-P energy: -155.891 bonds (distance) P-C4' energy: -162.634 flat angles C4'-P-C4' energy: -177.161 flat angles P-C4'-P energy: -107.894 tors. eta vs tors. theta energy: -210.973 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: 1 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2552.407747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.407747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.407747 (E_RNA) where: Base-Base interactions energy: -1712.043 where: short stacking energy: -751.227 Base-Backbone interact. energy: -4.979 local terms energy: -835.385799 where: bonds (distance) C4'-P energy: -153.961 bonds (distance) P-C4' energy: -159.956 flat angles C4'-P-C4' energy: -180.437 flat angles P-C4'-P energy: -112.171 tors. eta vs tors. theta energy: -228.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2358.839965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.839965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.839965 (E_RNA) where: Base-Base interactions energy: -1630.649 where: short stacking energy: -666.096 Base-Backbone interact. energy: -2.223 local terms energy: -725.968379 where: bonds (distance) C4'-P energy: -132.863 bonds (distance) P-C4' energy: -164.356 flat angles C4'-P-C4' energy: -167.302 flat angles P-C4'-P energy: -98.633 tors. eta vs tors. theta energy: -162.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2177.698881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.698881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.698881 (E_RNA) where: Base-Base interactions energy: -1462.517 where: short stacking energy: -623.571 Base-Backbone interact. energy: -4.267 local terms energy: -710.915067 where: bonds (distance) C4'-P energy: -146.073 bonds (distance) P-C4' energy: -145.531 flat angles C4'-P-C4' energy: -152.134 flat angles P-C4'-P energy: -107.227 tors. eta vs tors. theta energy: -159.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1976.095562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.095562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.095562 (E_RNA) where: Base-Base interactions energy: -1338.295 where: short stacking energy: -584.199 Base-Backbone interact. energy: 1.840 local terms energy: -639.640335 where: bonds (distance) C4'-P energy: -143.760 bonds (distance) P-C4' energy: -137.060 flat angles C4'-P-C4' energy: -150.564 flat angles P-C4'-P energy: -64.116 tors. eta vs tors. theta energy: -144.140 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: 387 Temperature: 1.200000 Total energy: -1528.860869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.860869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.860869 (E_RNA) where: Base-Base interactions energy: -883.295 where: short stacking energy: -423.833 Base-Backbone interact. energy: -4.115 local terms energy: -641.450724 where: bonds (distance) C4'-P energy: -149.711 bonds (distance) P-C4' energy: -142.382 flat angles C4'-P-C4' energy: -169.970 flat angles P-C4'-P energy: -94.887 tors. eta vs tors. theta energy: -84.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1339.803957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.803957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.803957 (E_RNA) where: Base-Base interactions energy: -826.324 where: short stacking energy: -393.724 Base-Backbone interact. energy: -3.299 local terms energy: -510.181551 where: bonds (distance) C4'-P energy: -115.701 bonds (distance) P-C4' energy: -143.200 flat angles C4'-P-C4' energy: -141.796 flat angles P-C4'-P energy: -63.039 tors. eta vs tors. theta energy: -46.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -937.197587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.197587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.197587 (E_RNA) where: Base-Base interactions energy: -460.290 where: short stacking energy: -302.013 Base-Backbone interact. energy: 0.172 local terms energy: -477.079873 where: bonds (distance) C4'-P energy: -135.711 bonds (distance) P-C4' energy: -152.326 flat angles C4'-P-C4' energy: -128.451 flat angles P-C4'-P energy: -47.678 tors. eta vs tors. theta energy: -12.913 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: 10 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -733.236072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.236072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.236072 (E_RNA) where: Base-Base interactions energy: -329.029 where: short stacking energy: -232.605 Base-Backbone interact. energy: 1.831 local terms energy: -406.037786 where: bonds (distance) C4'-P energy: -122.022 bonds (distance) P-C4' energy: -129.203 flat angles C4'-P-C4' energy: -118.517 flat angles P-C4'-P energy: -58.069 tors. eta vs tors. theta energy: 21.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2759.024802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.024802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.024802 (E_RNA) where: Base-Base interactions energy: -1872.113 where: short stacking energy: -810.218 Base-Backbone interact. energy: 1.409 local terms energy: -888.320642 where: bonds (distance) C4'-P energy: -171.376 bonds (distance) P-C4' energy: -158.082 flat angles C4'-P-C4' energy: -192.155 flat angles P-C4'-P energy: -129.205 tors. eta vs tors. theta energy: -237.503 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: 2 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2578.224655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.224655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.224655 (E_RNA) where: Base-Base interactions energy: -1734.974 where: short stacking energy: -721.624 Base-Backbone interact. energy: -1.720 local terms energy: -841.530845 where: bonds (distance) C4'-P energy: -150.127 bonds (distance) P-C4' energy: -173.110 flat angles C4'-P-C4' energy: -176.207 flat angles P-C4'-P energy: -129.747 tors. eta vs tors. theta energy: -212.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2497.437071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.437071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.437071 (E_RNA) where: Base-Base interactions energy: -1667.472 where: short stacking energy: -760.366 Base-Backbone interact. energy: 1.658 local terms energy: -831.623753 where: bonds (distance) C4'-P energy: -160.163 bonds (distance) P-C4' energy: -146.449 flat angles C4'-P-C4' energy: -175.269 flat angles P-C4'-P energy: -125.533 tors. eta vs tors. theta energy: -224.210 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: 9 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2367.963900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.963900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.963900 (E_RNA) where: Base-Base interactions energy: -1583.489 where: short stacking energy: -670.003 Base-Backbone interact. energy: -1.023 local terms energy: -783.451300 where: bonds (distance) C4'-P energy: -151.258 bonds (distance) P-C4' energy: -152.190 flat angles C4'-P-C4' energy: -181.075 flat angles P-C4'-P energy: -123.726 tors. eta vs tors. theta energy: -175.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2207.940335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.940335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.940335 (E_RNA) where: Base-Base interactions energy: -1459.428 where: short stacking energy: -634.431 Base-Backbone interact. energy: -1.409 local terms energy: -747.103258 where: bonds (distance) C4'-P energy: -169.070 bonds (distance) P-C4' energy: -136.501 flat angles C4'-P-C4' energy: -176.465 flat angles P-C4'-P energy: -97.121 tors. eta vs tors. theta energy: -167.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1944.807134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.807134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.807134 (E_RNA) where: Base-Base interactions energy: -1291.156 where: short stacking energy: -531.063 Base-Backbone interact. energy: 2.051 local terms energy: -655.701691 where: bonds (distance) C4'-P energy: -136.099 bonds (distance) P-C4' energy: -136.443 flat angles C4'-P-C4' energy: -164.403 flat angles P-C4'-P energy: -95.804 tors. eta vs tors. theta energy: -122.953 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: 7 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1503.674032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.674032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.674032 (E_RNA) where: Base-Base interactions energy: -923.027 where: short stacking energy: -428.622 Base-Backbone interact. energy: 1.552 local terms energy: -582.198815 where: bonds (distance) C4'-P energy: -130.173 bonds (distance) P-C4' energy: -134.769 flat angles C4'-P-C4' energy: -147.569 flat angles P-C4'-P energy: -88.789 tors. eta vs tors. theta energy: -80.898 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: 8 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1350.272747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.272747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.272747 (E_RNA) where: Base-Base interactions energy: -829.904 where: short stacking energy: -360.901 Base-Backbone interact. energy: 0.747 local terms energy: -521.116092 where: bonds (distance) C4'-P energy: -119.360 bonds (distance) P-C4' energy: -138.827 flat angles C4'-P-C4' energy: -126.990 flat angles P-C4'-P energy: -80.736 tors. eta vs tors. theta energy: -55.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -969.929650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.929650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.929650 (E_RNA) where: Base-Base interactions energy: -505.182 where: short stacking energy: -297.423 Base-Backbone interact. energy: -2.545 local terms energy: -462.202188 where: bonds (distance) C4'-P energy: -107.357 bonds (distance) P-C4' energy: -138.577 flat angles C4'-P-C4' energy: -139.755 flat angles P-C4'-P energy: -67.047 tors. eta vs tors. theta energy: -9.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -690.288588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.288588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.288588 (E_RNA) where: Base-Base interactions energy: -253.114 where: short stacking energy: -199.617 Base-Backbone interact. energy: -0.661 local terms energy: -436.513010 where: bonds (distance) C4'-P energy: -112.154 bonds (distance) P-C4' energy: -139.416 flat angles C4'-P-C4' energy: -126.649 flat angles P-C4'-P energy: -78.852 tors. eta vs tors. theta energy: 20.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2727.935815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.935815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.935815 (E_RNA) where: Base-Base interactions energy: -1868.890 where: short stacking energy: -817.296 Base-Backbone interact. energy: -0.958 local terms energy: -858.088238 where: bonds (distance) C4'-P energy: -163.948 bonds (distance) P-C4' energy: -162.524 flat angles C4'-P-C4' energy: -178.219 flat angles P-C4'-P energy: -115.397 tors. eta vs tors. theta energy: -238.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2586.962000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.962000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.962000 (E_RNA) where: Base-Base interactions energy: -1744.757 where: short stacking energy: -755.634 Base-Backbone interact. energy: 0.588 local terms energy: -842.792995 where: bonds (distance) C4'-P energy: -155.294 bonds (distance) P-C4' energy: -161.727 flat angles C4'-P-C4' energy: -185.063 flat angles P-C4'-P energy: -128.927 tors. eta vs tors. theta energy: -211.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2564.305829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.305829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.305829 (E_RNA) where: Base-Base interactions energy: -1746.449 where: short stacking energy: -792.822 Base-Backbone interact. energy: -1.355 local terms energy: -816.502163 where: bonds (distance) C4'-P energy: -135.534 bonds (distance) P-C4' energy: -153.346 flat angles C4'-P-C4' energy: -182.985 flat angles P-C4'-P energy: -111.575 tors. eta vs tors. theta energy: -233.062 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: 4, replica: 9 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2438.197969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.197969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.197969 (E_RNA) where: Base-Base interactions energy: -1660.939 where: short stacking energy: -692.369 Base-Backbone interact. energy: -5.123 local terms energy: -772.135301 where: bonds (distance) C4'-P energy: -144.607 bonds (distance) P-C4' energy: -159.172 flat angles C4'-P-C4' energy: -179.418 flat angles P-C4'-P energy: -102.469 tors. eta vs tors. theta energy: -186.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2163.038185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.038185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.038185 (E_RNA) where: Base-Base interactions energy: -1459.908 where: short stacking energy: -626.498 Base-Backbone interact. energy: 2.629 local terms energy: -705.759716 where: bonds (distance) C4'-P energy: -143.165 bonds (distance) P-C4' energy: -151.812 flat angles C4'-P-C4' energy: -141.311 flat angles P-C4'-P energy: -100.697 tors. eta vs tors. theta energy: -168.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1909.834385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.834385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.834385 (E_RNA) where: Base-Base interactions energy: -1304.315 where: short stacking energy: -560.176 Base-Backbone interact. energy: 1.455 local terms energy: -606.974335 where: bonds (distance) C4'-P energy: -124.212 bonds (distance) P-C4' energy: -136.398 flat angles C4'-P-C4' energy: -145.238 flat angles P-C4'-P energy: -79.372 tors. eta vs tors. theta energy: -121.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1503.980866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.980866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.980866 (E_RNA) where: Base-Base interactions energy: -916.227 where: short stacking energy: -443.941 Base-Backbone interact. energy: -3.675 local terms energy: -584.079025 where: bonds (distance) C4'-P energy: -137.390 bonds (distance) P-C4' energy: -142.443 flat angles C4'-P-C4' energy: -146.000 flat angles P-C4'-P energy: -84.510 tors. eta vs tors. theta energy: -73.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1314.627802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.627802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.627802 (E_RNA) where: Base-Base interactions energy: -786.843 where: short stacking energy: -372.041 Base-Backbone interact. energy: -3.652 local terms energy: -524.132616 where: bonds (distance) C4'-P energy: -120.041 bonds (distance) P-C4' energy: -147.460 flat angles C4'-P-C4' energy: -130.550 flat angles P-C4'-P energy: -85.026 tors. eta vs tors. theta energy: -41.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -988.445151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.445151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.445151 (E_RNA) where: Base-Base interactions energy: -508.054 where: short stacking energy: -282.043 Base-Backbone interact. energy: 3.454 local terms energy: -483.845413 where: bonds (distance) C4'-P energy: -148.249 bonds (distance) P-C4' energy: -132.252 flat angles C4'-P-C4' energy: -124.840 flat angles P-C4'-P energy: -68.614 tors. eta vs tors. theta energy: -9.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -635.974880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.974880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.974880 (E_RNA) where: Base-Base interactions energy: -220.718 where: short stacking energy: -177.768 Base-Backbone interact. energy: -1.319 local terms energy: -413.937854 where: bonds (distance) C4'-P energy: -136.523 bonds (distance) P-C4' energy: -114.647 flat angles C4'-P-C4' energy: -115.440 flat angles P-C4'-P energy: -63.318 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: 1, replica: 3 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2710.264887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.264887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.264887 (E_RNA) where: Base-Base interactions energy: -1868.624 where: short stacking energy: -807.041 Base-Backbone interact. energy: -2.276 local terms energy: -839.364456 where: bonds (distance) C4'-P energy: -164.800 bonds (distance) P-C4' energy: -165.268 flat angles C4'-P-C4' energy: -158.471 flat angles P-C4'-P energy: -124.663 tors. eta vs tors. theta energy: -226.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2584.052334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.052334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.052334 (E_RNA) where: Base-Base interactions energy: -1748.906 where: short stacking energy: -762.769 Base-Backbone interact. energy: -1.702 local terms energy: -833.444025 where: bonds (distance) C4'-P energy: -141.516 bonds (distance) P-C4' energy: -166.919 flat angles C4'-P-C4' energy: -185.699 flat angles P-C4'-P energy: -135.028 tors. eta vs tors. theta energy: -204.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2540.262143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.262143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.262143 (E_RNA) where: Base-Base interactions energy: -1716.228 where: short stacking energy: -772.496 Base-Backbone interact. energy: -2.769 local terms energy: -821.264572 where: bonds (distance) C4'-P energy: -156.626 bonds (distance) P-C4' energy: -151.684 flat angles C4'-P-C4' energy: -175.802 flat angles P-C4'-P energy: -116.862 tors. eta vs tors. theta energy: -220.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2361.578310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.578310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.578310 (E_RNA) where: Base-Base interactions energy: -1599.805 where: short stacking energy: -711.197 Base-Backbone interact. energy: -1.826 local terms energy: -759.947279 where: bonds (distance) C4'-P energy: -157.942 bonds (distance) P-C4' energy: -153.825 flat angles C4'-P-C4' energy: -162.225 flat angles P-C4'-P energy: -101.034 tors. eta vs tors. theta energy: -184.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2149.143104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.143104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.143104 (E_RNA) where: Base-Base interactions energy: -1464.257 where: short stacking energy: -633.074 Base-Backbone interact. energy: -4.263 local terms energy: -680.623080 where: bonds (distance) C4'-P energy: -133.215 bonds (distance) P-C4' energy: -146.122 flat angles C4'-P-C4' energy: -148.406 flat angles P-C4'-P energy: -81.328 tors. eta vs tors. theta energy: -171.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1895.375671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.375671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.375671 (E_RNA) where: Base-Base interactions energy: -1224.934 where: short stacking energy: -557.735 Base-Backbone interact. energy: -0.395 local terms energy: -670.046672 where: bonds (distance) C4'-P energy: -136.278 bonds (distance) P-C4' energy: -142.287 flat angles C4'-P-C4' energy: -159.479 flat angles P-C4'-P energy: -117.515 tors. eta vs tors. theta energy: -114.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1504.302268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.302268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.302268 (E_RNA) where: Base-Base interactions energy: -910.297 where: short stacking energy: -461.284 Base-Backbone interact. energy: -0.172 local terms energy: -593.833617 where: bonds (distance) C4'-P energy: -138.812 bonds (distance) P-C4' energy: -139.352 flat angles C4'-P-C4' energy: -135.896 flat angles P-C4'-P energy: -107.942 tors. eta vs tors. theta energy: -71.831 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: 8 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1327.905046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.905046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.905046 (E_RNA) where: Base-Base interactions energy: -846.060 where: short stacking energy: -418.045 Base-Backbone interact. energy: -3.759 local terms energy: -478.085892 where: bonds (distance) C4'-P energy: -103.525 bonds (distance) P-C4' energy: -121.689 flat angles C4'-P-C4' energy: -116.773 flat angles P-C4'-P energy: -74.751 tors. eta vs tors. theta energy: -61.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -978.486485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.486485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.486485 (E_RNA) where: Base-Base interactions energy: -511.213 where: short stacking energy: -294.366 Base-Backbone interact. energy: 8.565 local terms energy: -475.838209 where: bonds (distance) C4'-P energy: -110.379 bonds (distance) P-C4' energy: -135.532 flat angles C4'-P-C4' energy: -136.548 flat angles P-C4'-P energy: -74.083 tors. eta vs tors. theta energy: -19.297 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: 10 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -621.480066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.480066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.480066 (E_RNA) where: Base-Base interactions energy: -202.806 where: short stacking energy: -165.676 Base-Backbone interact. energy: 0.952 local terms energy: -419.626240 where: bonds (distance) C4'-P energy: -115.375 bonds (distance) P-C4' energy: -124.872 flat angles C4'-P-C4' energy: -133.531 flat angles P-C4'-P energy: -75.322 tors. eta vs tors. theta energy: 29.474 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: 3 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -2727.149864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.149864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.149864 (E_RNA) where: Base-Base interactions energy: -1880.975 where: short stacking energy: -787.855 Base-Backbone interact. energy: -4.219 local terms energy: -841.955543 where: bonds (distance) C4'-P energy: -160.504 bonds (distance) P-C4' energy: -163.549 flat angles C4'-P-C4' energy: -177.139 flat angles P-C4'-P energy: -115.344 tors. eta vs tors. theta energy: -225.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2604.494317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.494317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.494317 (E_RNA) where: Base-Base interactions energy: -1785.007 where: short stacking energy: -738.076 Base-Backbone interact. energy: -1.524 local terms energy: -817.963438 where: bonds (distance) C4'-P energy: -152.319 bonds (distance) P-C4' energy: -158.395 flat angles C4'-P-C4' energy: -184.914 flat angles P-C4'-P energy: -117.100 tors. eta vs tors. theta energy: -205.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2529.675132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.675132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.675132 (E_RNA) where: Base-Base interactions energy: -1681.884 where: short stacking energy: -781.274 Base-Backbone interact. energy: -1.829 local terms energy: -845.961523 where: bonds (distance) C4'-P energy: -153.087 bonds (distance) P-C4' energy: -143.475 flat angles C4'-P-C4' energy: -178.847 flat angles P-C4'-P energy: -133.269 tors. eta vs tors. theta energy: -237.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2371.525049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.525049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.525049 (E_RNA) where: Base-Base interactions energy: -1639.436 where: short stacking energy: -702.968 Base-Backbone interact. energy: -5.441 local terms energy: -726.647353 where: bonds (distance) C4'-P energy: -154.166 bonds (distance) P-C4' energy: -136.709 flat angles C4'-P-C4' energy: -159.703 flat angles P-C4'-P energy: -93.713 tors. eta vs tors. theta energy: -182.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2204.348039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.348039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.348039 (E_RNA) where: Base-Base interactions energy: -1454.452 where: short stacking energy: -642.033 Base-Backbone interact. energy: -3.631 local terms energy: -746.265162 where: bonds (distance) C4'-P energy: -155.158 bonds (distance) P-C4' energy: -153.045 flat angles C4'-P-C4' energy: -166.644 flat angles P-C4'-P energy: -95.657 tors. eta vs tors. theta energy: -175.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1879.482093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.482093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.482093 (E_RNA) where: Base-Base interactions energy: -1237.161 where: short stacking energy: -536.605 Base-Backbone interact. energy: -0.316 local terms energy: -642.005845 where: bonds (distance) C4'-P energy: -138.448 bonds (distance) P-C4' energy: -138.388 flat angles C4'-P-C4' energy: -158.235 flat angles P-C4'-P energy: -98.257 tors. eta vs tors. theta energy: -108.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1547.262710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.262710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.262710 (E_RNA) where: Base-Base interactions energy: -984.597 where: short stacking energy: -468.778 Base-Backbone interact. energy: 2.444 local terms energy: -565.109122 where: bonds (distance) C4'-P energy: -114.843 bonds (distance) P-C4' energy: -127.215 flat angles C4'-P-C4' energy: -143.215 flat angles P-C4'-P energy: -104.699 tors. eta vs tors. theta energy: -75.137 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: 8, replica: 8 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1336.906465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.906465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.906465 (E_RNA) where: Base-Base interactions energy: -809.135 where: short stacking energy: -392.349 Base-Backbone interact. energy: 3.693 local terms energy: -531.464352 where: bonds (distance) C4'-P energy: -112.352 bonds (distance) P-C4' energy: -139.904 flat angles C4'-P-C4' energy: -126.585 flat angles P-C4'-P energy: -79.501 tors. eta vs tors. theta energy: -73.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1030.532210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.532210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.532210 (E_RNA) where: Base-Base interactions energy: -577.102 where: short stacking energy: -300.744 Base-Backbone interact. energy: 2.109 local terms energy: -455.539385 where: bonds (distance) C4'-P energy: -125.670 bonds (distance) P-C4' energy: -154.551 flat angles C4'-P-C4' energy: -113.117 flat angles P-C4'-P energy: -53.795 tors. eta vs tors. theta energy: -8.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -641.037464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.037464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.037464 (E_RNA) where: Base-Base interactions energy: -191.650 where: short stacking energy: -161.805 Base-Backbone interact. energy: 0.326 local terms energy: -449.713566 where: bonds (distance) C4'-P energy: -144.348 bonds (distance) P-C4' energy: -148.384 flat angles C4'-P-C4' energy: -124.980 flat angles P-C4'-P energy: -66.143 tors. eta vs tors. theta energy: 34.141 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: 2 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2682.788773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.788773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.788773 (E_RNA) where: Base-Base interactions energy: -1833.146 where: short stacking energy: -802.989 Base-Backbone interact. energy: -2.003 local terms energy: -847.639252 where: bonds (distance) C4'-P energy: -155.908 bonds (distance) P-C4' energy: -159.724 flat angles C4'-P-C4' energy: -187.890 flat angles P-C4'-P energy: -120.521 tors. eta vs tors. theta energy: -223.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2659.201230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.201230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.201230 (E_RNA) where: Base-Base interactions energy: -1813.573 where: short stacking energy: -782.785 Base-Backbone interact. energy: 0.224 local terms energy: -845.852129 where: bonds (distance) C4'-P energy: -143.817 bonds (distance) P-C4' energy: -156.208 flat angles C4'-P-C4' energy: -194.582 flat angles P-C4'-P energy: -129.094 tors. eta vs tors. theta energy: -222.152 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: 3, replica: 1 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2541.370660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.370660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.370660 (E_RNA) where: Base-Base interactions energy: -1715.717 where: short stacking energy: -780.087 Base-Backbone interact. energy: -5.130 local terms energy: -820.524268 where: bonds (distance) C4'-P energy: -133.931 bonds (distance) P-C4' energy: -144.941 flat angles C4'-P-C4' energy: -183.867 flat angles P-C4'-P energy: -116.156 tors. eta vs tors. theta energy: -241.629 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: 9 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2368.345210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.345210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.345210 (E_RNA) where: Base-Base interactions energy: -1644.702 where: short stacking energy: -722.210 Base-Backbone interact. energy: -2.252 local terms energy: -721.391904 where: bonds (distance) C4'-P energy: -129.078 bonds (distance) P-C4' energy: -141.701 flat angles C4'-P-C4' energy: -156.507 flat angles P-C4'-P energy: -119.032 tors. eta vs tors. theta energy: -175.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2182.050612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.050612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.050612 (E_RNA) where: Base-Base interactions energy: -1455.605 where: short stacking energy: -652.630 Base-Backbone interact. energy: -3.504 local terms energy: -722.940856 where: bonds (distance) C4'-P energy: -130.811 bonds (distance) P-C4' energy: -150.740 flat angles C4'-P-C4' energy: -157.883 flat angles P-C4'-P energy: -110.060 tors. eta vs tors. theta energy: -173.447 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: 5 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1910.668638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.668638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.668638 (E_RNA) where: Base-Base interactions energy: -1240.227 where: short stacking energy: -598.123 Base-Backbone interact. energy: -2.588 local terms energy: -667.854115 where: bonds (distance) C4'-P energy: -126.806 bonds (distance) P-C4' energy: -144.975 flat angles C4'-P-C4' energy: -166.859 flat angles P-C4'-P energy: -92.558 tors. eta vs tors. theta energy: -136.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1518.658719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.658719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.658719 (E_RNA) where: Base-Base interactions energy: -948.682 where: short stacking energy: -427.492 Base-Backbone interact. energy: 1.275 local terms energy: -571.251235 where: bonds (distance) C4'-P energy: -139.840 bonds (distance) P-C4' energy: -124.525 flat angles C4'-P-C4' energy: -143.217 flat angles P-C4'-P energy: -84.266 tors. eta vs tors. theta energy: -79.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1355.655617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.655617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.655617 (E_RNA) where: Base-Base interactions energy: -808.581 where: short stacking energy: -401.035 Base-Backbone interact. energy: -1.209 local terms energy: -545.865917 where: bonds (distance) C4'-P energy: -127.562 bonds (distance) P-C4' energy: -144.684 flat angles C4'-P-C4' energy: -134.940 flat angles P-C4'-P energy: -71.484 tors. eta vs tors. theta energy: -67.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1034.070065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.070065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.070065 (E_RNA) where: Base-Base interactions energy: -583.621 where: short stacking energy: -300.980 Base-Backbone interact. energy: 2.116 local terms energy: -452.565136 where: bonds (distance) C4'-P energy: -115.580 bonds (distance) P-C4' energy: -132.286 flat angles C4'-P-C4' energy: -135.726 flat angles P-C4'-P energy: -47.752 tors. eta vs tors. theta energy: -21.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -615.201525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.201525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.201525 (E_RNA) where: Base-Base interactions energy: -200.928 where: short stacking energy: -172.702 Base-Backbone interact. energy: 2.361 local terms energy: -416.634564 where: bonds (distance) C4'-P energy: -135.422 bonds (distance) P-C4' energy: -135.752 flat angles C4'-P-C4' energy: -115.799 flat angles P-C4'-P energy: -57.466 tors. eta vs tors. theta energy: 27.805 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: 2 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2699.156321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.156321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.156321 (E_RNA) where: Base-Base interactions energy: -1853.208 where: short stacking energy: -800.711 Base-Backbone interact. energy: -5.998 local terms energy: -839.950648 where: bonds (distance) C4'-P energy: -155.237 bonds (distance) P-C4' energy: -155.970 flat angles C4'-P-C4' energy: -185.514 flat angles P-C4'-P energy: -122.634 tors. eta vs tors. theta energy: -220.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2626.106138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.106138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.106138 (E_RNA) where: Base-Base interactions energy: -1779.145 where: short stacking energy: -775.918 Base-Backbone interact. energy: -2.965 local terms energy: -843.996404 where: bonds (distance) C4'-P energy: -153.363 bonds (distance) P-C4' energy: -170.461 flat angles C4'-P-C4' energy: -173.626 flat angles P-C4'-P energy: -129.564 tors. eta vs tors. theta energy: -216.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2550.506364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.506364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.506364 (E_RNA) where: Base-Base interactions energy: -1691.609 where: short stacking energy: -771.916 Base-Backbone interact. energy: -2.782 local terms energy: -856.115990 where: bonds (distance) C4'-P energy: -158.886 bonds (distance) P-C4' energy: -144.561 flat angles C4'-P-C4' energy: -190.913 flat angles P-C4'-P energy: -127.610 tors. eta vs tors. theta energy: -234.146 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: 4, replica: 9 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2373.778682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.778682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.778682 (E_RNA) where: Base-Base interactions energy: -1590.509 where: short stacking energy: -694.005 Base-Backbone interact. energy: 1.233 local terms energy: -784.503085 where: bonds (distance) C4'-P energy: -158.167 bonds (distance) P-C4' energy: -148.673 flat angles C4'-P-C4' energy: -174.169 flat angles P-C4'-P energy: -124.567 tors. eta vs tors. theta energy: -178.926 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: 5, replica: 4 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2194.249016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.249016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.249016 (E_RNA) where: Base-Base interactions energy: -1454.437 where: short stacking energy: -632.250 Base-Backbone interact. energy: -2.587 local terms energy: -737.225180 where: bonds (distance) C4'-P energy: -156.787 bonds (distance) P-C4' energy: -141.126 flat angles C4'-P-C4' energy: -170.842 flat angles P-C4'-P energy: -106.663 tors. eta vs tors. theta energy: -161.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1899.487702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.487702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.487702 (E_RNA) where: Base-Base interactions energy: -1260.955 where: short stacking energy: -539.222 Base-Backbone interact. energy: 1.598 local terms energy: -640.131255 where: bonds (distance) C4'-P energy: -135.882 bonds (distance) P-C4' energy: -134.402 flat angles C4'-P-C4' energy: -141.767 flat angles P-C4'-P energy: -96.566 tors. eta vs tors. theta energy: -131.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1550.554633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.554633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.554633 (E_RNA) where: Base-Base interactions energy: -938.641 where: short stacking energy: -457.547 Base-Backbone interact. energy: 1.100 local terms energy: -613.014123 where: bonds (distance) C4'-P energy: -136.466 bonds (distance) P-C4' energy: -133.861 flat angles C4'-P-C4' energy: -152.706 flat angles P-C4'-P energy: -86.738 tors. eta vs tors. theta energy: -103.243 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: 8 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1343.811592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.811592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.811592 (E_RNA) where: Base-Base interactions energy: -784.651 where: short stacking energy: -397.827 Base-Backbone interact. energy: -1.856 local terms energy: -557.304783 where: bonds (distance) C4'-P energy: -134.606 bonds (distance) P-C4' energy: -148.118 flat angles C4'-P-C4' energy: -132.765 flat angles P-C4'-P energy: -80.042 tors. eta vs tors. theta energy: -61.773 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: 9, replica: 6 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1023.581408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.581408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.581408 (E_RNA) where: Base-Base interactions energy: -572.619 where: short stacking energy: -290.804 Base-Backbone interact. energy: -0.485 local terms energy: -450.476898 where: bonds (distance) C4'-P energy: -122.366 bonds (distance) P-C4' energy: -127.139 flat angles C4'-P-C4' energy: -119.769 flat angles P-C4'-P energy: -66.564 tors. eta vs tors. theta energy: -14.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -638.354290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.354290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.354290 (E_RNA) where: Base-Base interactions energy: -234.208 where: short stacking energy: -198.709 Base-Backbone interact. energy: 0.407 local terms energy: -404.552617 where: bonds (distance) C4'-P energy: -149.701 bonds (distance) P-C4' energy: -137.948 flat angles C4'-P-C4' energy: -100.408 flat angles P-C4'-P energy: -36.758 tors. eta vs tors. theta energy: 20.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2702.322415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.322415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.322415 (E_RNA) where: Base-Base interactions energy: -1860.983 where: short stacking energy: -808.698 Base-Backbone interact. energy: -1.666 local terms energy: -839.673252 where: bonds (distance) C4'-P energy: -141.305 bonds (distance) P-C4' energy: -152.473 flat angles C4'-P-C4' energy: -186.415 flat angles P-C4'-P energy: -137.778 tors. eta vs tors. theta energy: -221.702 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: 3 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2652.529542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.529542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.529542 (E_RNA) where: Base-Base interactions energy: -1813.844 where: short stacking energy: -737.097 Base-Backbone interact. energy: 1.738 local terms energy: -840.423700 where: bonds (distance) C4'-P energy: -150.226 bonds (distance) P-C4' energy: -175.652 flat angles C4'-P-C4' energy: -181.233 flat angles P-C4'-P energy: -119.992 tors. eta vs tors. theta energy: -213.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2532.793966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.793966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.793966 (E_RNA) where: Base-Base interactions energy: -1695.409 where: short stacking energy: -755.385 Base-Backbone interact. energy: -3.358 local terms energy: -834.026869 where: bonds (distance) C4'-P energy: -151.696 bonds (distance) P-C4' energy: -156.554 flat angles C4'-P-C4' energy: -187.039 flat angles P-C4'-P energy: -111.100 tors. eta vs tors. theta energy: -227.638 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: 4, replica: 9 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2360.944819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.944819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.944819 (E_RNA) where: Base-Base interactions energy: -1613.924 where: short stacking energy: -697.174 Base-Backbone interact. energy: -2.700 local terms energy: -744.320955 where: bonds (distance) C4'-P energy: -133.234 bonds (distance) P-C4' energy: -147.501 flat angles C4'-P-C4' energy: -174.447 flat angles P-C4'-P energy: -103.810 tors. eta vs tors. theta energy: -185.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2240.761531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.761531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.761531 (E_RNA) where: Base-Base interactions energy: -1524.862 where: short stacking energy: -685.239 Base-Backbone interact. energy: -0.316 local terms energy: -715.583420 where: bonds (distance) C4'-P energy: -126.448 bonds (distance) P-C4' energy: -139.028 flat angles C4'-P-C4' energy: -168.948 flat angles P-C4'-P energy: -99.633 tors. eta vs tors. theta energy: -181.526 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: 5 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1925.928923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.928923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.928923 (E_RNA) where: Base-Base interactions energy: -1252.333 where: short stacking energy: -557.372 Base-Backbone interact. energy: 0.948 local terms energy: -674.544277 where: bonds (distance) C4'-P energy: -126.538 bonds (distance) P-C4' energy: -161.874 flat angles C4'-P-C4' energy: -151.867 flat angles P-C4'-P energy: -93.829 tors. eta vs tors. theta energy: -140.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1507.919707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.919707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.919707 (E_RNA) where: Base-Base interactions energy: -948.972 where: short stacking energy: -447.521 Base-Backbone interact. energy: 2.696 local terms energy: -561.643117 where: bonds (distance) C4'-P energy: -128.533 bonds (distance) P-C4' energy: -143.749 flat angles C4'-P-C4' energy: -148.981 flat angles P-C4'-P energy: -71.662 tors. eta vs tors. theta energy: -68.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1415.861653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.861653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.861653 (E_RNA) where: Base-Base interactions energy: -900.391 where: short stacking energy: -404.977 Base-Backbone interact. energy: 2.347 local terms energy: -517.816937 where: bonds (distance) C4'-P energy: -126.625 bonds (distance) P-C4' energy: -124.704 flat angles C4'-P-C4' energy: -130.745 flat angles P-C4'-P energy: -77.364 tors. eta vs tors. theta energy: -58.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1040.986151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.986151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.986151 (E_RNA) where: Base-Base interactions energy: -534.950 where: short stacking energy: -273.549 Base-Backbone interact. energy: 2.085 local terms energy: -508.121357 where: bonds (distance) C4'-P energy: -125.311 bonds (distance) P-C4' energy: -140.702 flat angles C4'-P-C4' energy: -121.067 flat angles P-C4'-P energy: -93.003 tors. eta vs tors. theta energy: -28.038 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: 10 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -596.291239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.291239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.291239 (E_RNA) where: Base-Base interactions energy: -205.724 where: short stacking energy: -171.137 Base-Backbone interact. energy: -4.072 local terms energy: -386.495101 where: bonds (distance) C4'-P energy: -125.596 bonds (distance) P-C4' energy: -133.048 flat angles C4'-P-C4' energy: -110.407 flat angles P-C4'-P energy: -42.527 tors. eta vs tors. theta energy: 25.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2699.207812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.207812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.207812 (E_RNA) where: Base-Base interactions energy: -1865.868 where: short stacking energy: -811.262 Base-Backbone interact. energy: -3.847 local terms energy: -829.492704 where: bonds (distance) C4'-P energy: -143.647 bonds (distance) P-C4' energy: -166.622 flat angles C4'-P-C4' energy: -174.576 flat angles P-C4'-P energy: -135.886 tors. eta vs tors. theta energy: -208.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2602.720380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.720380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.720380 (E_RNA) where: Base-Base interactions energy: -1745.106 where: short stacking energy: -792.772 Base-Backbone interact. energy: -3.999 local terms energy: -853.615244 where: bonds (distance) C4'-P energy: -153.533 bonds (distance) P-C4' energy: -173.409 flat angles C4'-P-C4' energy: -175.433 flat angles P-C4'-P energy: -119.698 tors. eta vs tors. theta energy: -231.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2564.345861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.345861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.345861 (E_RNA) where: Base-Base interactions energy: -1746.630 where: short stacking energy: -744.798 Base-Backbone interact. energy: -5.084 local terms energy: -812.631590 where: bonds (distance) C4'-P energy: -155.789 bonds (distance) P-C4' energy: -148.880 flat angles C4'-P-C4' energy: -175.147 flat angles P-C4'-P energy: -123.139 tors. eta vs tors. theta energy: -209.677 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: 9 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2407.665384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.665384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.665384 (E_RNA) where: Base-Base interactions energy: -1600.486 where: short stacking energy: -707.582 Base-Backbone interact. energy: -0.453 local terms energy: -806.726775 where: bonds (distance) C4'-P energy: -166.350 bonds (distance) P-C4' energy: -160.035 flat angles C4'-P-C4' energy: -177.994 flat angles P-C4'-P energy: -112.521 tors. eta vs tors. theta energy: -189.826 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: 5, replica: 4 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2252.502850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.502850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.502850 (E_RNA) where: Base-Base interactions energy: -1488.271 where: short stacking energy: -642.551 Base-Backbone interact. energy: -0.407 local terms energy: -763.825444 where: bonds (distance) C4'-P energy: -143.130 bonds (distance) P-C4' energy: -141.441 flat angles C4'-P-C4' energy: -163.498 flat angles P-C4'-P energy: -129.154 tors. eta vs tors. theta energy: -186.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1921.458172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.458172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.458172 (E_RNA) where: Base-Base interactions energy: -1266.997 where: short stacking energy: -515.477 Base-Backbone interact. energy: 0.706 local terms energy: -655.167696 where: bonds (distance) C4'-P energy: -142.025 bonds (distance) P-C4' energy: -133.127 flat angles C4'-P-C4' energy: -154.090 flat angles P-C4'-P energy: -105.297 tors. eta vs tors. theta energy: -120.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1510.224982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.224982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.224982 (E_RNA) where: Base-Base interactions energy: -947.358 where: short stacking energy: -427.249 Base-Backbone interact. energy: -0.773 local terms energy: -562.094636 where: bonds (distance) C4'-P energy: -134.001 bonds (distance) P-C4' energy: -129.500 flat angles C4'-P-C4' energy: -147.973 flat angles P-C4'-P energy: -81.527 tors. eta vs tors. theta energy: -69.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1424.013090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.013090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.013090 (E_RNA) where: Base-Base interactions energy: -827.275 where: short stacking energy: -411.173 Base-Backbone interact. energy: 0.966 local terms energy: -597.704846 where: bonds (distance) C4'-P energy: -150.955 bonds (distance) P-C4' energy: -145.675 flat angles C4'-P-C4' energy: -137.481 flat angles P-C4'-P energy: -94.215 tors. eta vs tors. theta energy: -69.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1001.299438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.299438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.299438 (E_RNA) where: Base-Base interactions energy: -539.255 where: short stacking energy: -308.723 Base-Backbone interact. energy: 0.627 local terms energy: -462.672224 where: bonds (distance) C4'-P energy: -114.227 bonds (distance) P-C4' energy: -114.931 flat angles C4'-P-C4' energy: -131.705 flat angles P-C4'-P energy: -72.119 tors. eta vs tors. theta energy: -29.691 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: 10, replica: 10 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -615.864438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.864438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.864438 (E_RNA) where: Base-Base interactions energy: -224.331 where: short stacking energy: -169.822 Base-Backbone interact. energy: 3.467 local terms energy: -394.999996 where: bonds (distance) C4'-P energy: -144.259 bonds (distance) P-C4' energy: -124.060 flat angles C4'-P-C4' energy: -101.559 flat angles P-C4'-P energy: -73.005 tors. eta vs tors. theta energy: 47.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2681.354103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.354103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.354103 (E_RNA) where: Base-Base interactions energy: -1846.659 where: short stacking energy: -787.720 Base-Backbone interact. energy: -0.608 local terms energy: -834.086656 where: bonds (distance) C4'-P energy: -148.047 bonds (distance) P-C4' energy: -164.779 flat angles C4'-P-C4' energy: -186.562 flat angles P-C4'-P energy: -123.007 tors. eta vs tors. theta energy: -211.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2623.182164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.182164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.182164 (E_RNA) where: Base-Base interactions energy: -1779.641 where: short stacking energy: -785.097 Base-Backbone interact. energy: -5.639 local terms energy: -837.902195 where: bonds (distance) C4'-P energy: -151.378 bonds (distance) P-C4' energy: -156.985 flat angles C4'-P-C4' energy: -190.840 flat angles P-C4'-P energy: -116.575 tors. eta vs tors. theta energy: -222.123 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: 3 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2475.637184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.637184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.637184 (E_RNA) where: Base-Base interactions energy: -1689.860 where: short stacking energy: -745.106 Base-Backbone interact. energy: 0.921 local terms energy: -786.698893 where: bonds (distance) C4'-P energy: -140.538 bonds (distance) P-C4' energy: -158.339 flat angles C4'-P-C4' energy: -155.967 flat angles P-C4'-P energy: -124.036 tors. eta vs tors. theta energy: -207.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2379.979048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.979048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.979048 (E_RNA) where: Base-Base interactions energy: -1601.118 where: short stacking energy: -662.015 Base-Backbone interact. energy: -0.766 local terms energy: -778.095252 where: bonds (distance) C4'-P energy: -170.143 bonds (distance) P-C4' energy: -155.696 flat angles C4'-P-C4' energy: -172.634 flat angles P-C4'-P energy: -111.311 tors. eta vs tors. theta energy: -168.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2205.598544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.598544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.598544 (E_RNA) where: Base-Base interactions energy: -1511.533 where: short stacking energy: -662.117 Base-Backbone interact. energy: -0.304 local terms energy: -693.761811 where: bonds (distance) C4'-P energy: -114.622 bonds (distance) P-C4' energy: -136.101 flat angles C4'-P-C4' energy: -154.180 flat angles P-C4'-P energy: -106.341 tors. eta vs tors. theta energy: -182.517 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: 5 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1842.122963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.122963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.122963 (E_RNA) where: Base-Base interactions energy: -1196.636 where: short stacking energy: -534.803 Base-Backbone interact. energy: 1.968 local terms energy: -647.454654 where: bonds (distance) C4'-P energy: -136.933 bonds (distance) P-C4' energy: -137.846 flat angles C4'-P-C4' energy: -154.482 flat angles P-C4'-P energy: -106.979 tors. eta vs tors. theta energy: -111.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1498.638487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.638487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.638487 (E_RNA) where: Base-Base interactions energy: -951.266 where: short stacking energy: -422.167 Base-Backbone interact. energy: 1.828 local terms energy: -549.200182 where: bonds (distance) C4'-P energy: -106.031 bonds (distance) P-C4' energy: -137.184 flat angles C4'-P-C4' energy: -146.617 flat angles P-C4'-P energy: -80.606 tors. eta vs tors. theta energy: -78.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1397.560403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.560403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.560403 (E_RNA) where: Base-Base interactions energy: -871.216 where: short stacking energy: -423.616 Base-Backbone interact. energy: -2.663 local terms energy: -523.680919 where: bonds (distance) C4'-P energy: -113.865 bonds (distance) P-C4' energy: -136.339 flat angles C4'-P-C4' energy: -139.281 flat angles P-C4'-P energy: -63.935 tors. eta vs tors. theta energy: -70.261 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: 6 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -960.942727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.942727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.942727 (E_RNA) where: Base-Base interactions energy: -483.891 where: short stacking energy: -266.351 Base-Backbone interact. energy: 4.550 local terms energy: -481.601783 where: bonds (distance) C4'-P energy: -127.467 bonds (distance) P-C4' energy: -139.540 flat angles C4'-P-C4' energy: -111.663 flat angles P-C4'-P energy: -62.250 tors. eta vs tors. theta energy: -40.681 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: 10 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -669.063710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.063710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.063710 (E_RNA) where: Base-Base interactions energy: -257.431 where: short stacking energy: -178.216 Base-Backbone interact. energy: 4.175 local terms energy: -415.807058 where: bonds (distance) C4'-P energy: -120.568 bonds (distance) P-C4' energy: -127.164 flat angles C4'-P-C4' energy: -125.078 flat angles P-C4'-P energy: -57.059 tors. eta vs tors. theta energy: 14.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2672.068480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.068480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.068480 (E_RNA) where: Base-Base interactions energy: -1879.649 where: short stacking energy: -795.610 Base-Backbone interact. energy: 9.462 local terms energy: -801.880551 where: bonds (distance) C4'-P energy: -136.963 bonds (distance) P-C4' energy: -170.981 flat angles C4'-P-C4' energy: -175.559 flat angles P-C4'-P energy: -119.986 tors. eta vs tors. theta energy: -198.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2635.737533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.737533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.737533 (E_RNA) where: Base-Base interactions energy: -1795.876 where: short stacking energy: -783.095 Base-Backbone interact. energy: -1.537 local terms energy: -838.325079 where: bonds (distance) C4'-P energy: -148.834 bonds (distance) P-C4' energy: -158.750 flat angles C4'-P-C4' energy: -183.654 flat angles P-C4'-P energy: -111.127 tors. eta vs tors. theta energy: -235.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2501.242566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.242566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.242566 (E_RNA) where: Base-Base interactions energy: -1711.640 where: short stacking energy: -730.358 Base-Backbone interact. energy: 1.844 local terms energy: -791.446839 where: bonds (distance) C4'-P energy: -160.566 bonds (distance) P-C4' energy: -138.043 flat angles C4'-P-C4' energy: -169.282 flat angles P-C4'-P energy: -117.143 tors. eta vs tors. theta energy: -206.413 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: 9 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2399.866573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.866573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.866573 (E_RNA) where: Base-Base interactions energy: -1618.498 where: short stacking energy: -714.298 Base-Backbone interact. energy: -0.526 local terms energy: -780.843335 where: bonds (distance) C4'-P energy: -147.569 bonds (distance) P-C4' energy: -144.273 flat angles C4'-P-C4' energy: -179.708 flat angles P-C4'-P energy: -112.716 tors. eta vs tors. theta energy: -196.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2224.960135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.960135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.960135 (E_RNA) where: Base-Base interactions energy: -1494.693 where: short stacking energy: -620.799 Base-Backbone interact. energy: -2.802 local terms energy: -727.465172 where: bonds (distance) C4'-P energy: -152.609 bonds (distance) P-C4' energy: -151.121 flat angles C4'-P-C4' energy: -169.069 flat angles P-C4'-P energy: -96.304 tors. eta vs tors. theta energy: -158.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1873.735621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.735621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.735621 (E_RNA) where: Base-Base interactions energy: -1222.593 where: short stacking energy: -542.912 Base-Backbone interact. energy: -6.368 local terms energy: -644.774029 where: bonds (distance) C4'-P energy: -154.888 bonds (distance) P-C4' energy: -147.969 flat angles C4'-P-C4' energy: -136.759 flat angles P-C4'-P energy: -87.624 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: 397 Temperature: 1.200000 Total energy: -1567.092434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.092434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.092434 (E_RNA) where: Base-Base interactions energy: -1010.663 where: short stacking energy: -478.175 Base-Backbone interact. energy: -1.266 local terms energy: -555.163558 where: bonds (distance) C4'-P energy: -116.366 bonds (distance) P-C4' energy: -135.705 flat angles C4'-P-C4' energy: -129.362 flat angles P-C4'-P energy: -88.233 tors. eta vs tors. theta energy: -85.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1417.670630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.670630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.670630 (E_RNA) where: Base-Base interactions energy: -866.989 where: short stacking energy: -433.683 Base-Backbone interact. energy: 1.675 local terms energy: -552.356630 where: bonds (distance) C4'-P energy: -130.875 bonds (distance) P-C4' energy: -160.797 flat angles C4'-P-C4' energy: -118.926 flat angles P-C4'-P energy: -59.954 tors. eta vs tors. theta energy: -81.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -986.821572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.821572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.821572 (E_RNA) where: Base-Base interactions energy: -528.697 where: short stacking energy: -281.295 Base-Backbone interact. energy: -3.431 local terms energy: -454.693980 where: bonds (distance) C4'-P energy: -115.450 bonds (distance) P-C4' energy: -127.143 flat angles C4'-P-C4' energy: -121.209 flat angles P-C4'-P energy: -69.802 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: 10 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -718.308264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.308264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.308264 (E_RNA) where: Base-Base interactions energy: -315.672 where: short stacking energy: -194.658 Base-Backbone interact. energy: 5.202 local terms energy: -407.837737 where: bonds (distance) C4'-P energy: -136.934 bonds (distance) P-C4' energy: -132.976 flat angles C4'-P-C4' energy: -109.693 flat angles P-C4'-P energy: -55.889 tors. eta vs tors. theta energy: 27.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2692.454726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.454726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.454726 (E_RNA) where: Base-Base interactions energy: -1827.865 where: short stacking energy: -792.968 Base-Backbone interact. energy: -2.790 local terms energy: -861.799404 where: bonds (distance) C4'-P energy: -158.610 bonds (distance) P-C4' energy: -172.231 flat angles C4'-P-C4' energy: -185.610 flat angles P-C4'-P energy: -122.597 tors. eta vs tors. theta energy: -222.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2635.998719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.998719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.998719 (E_RNA) where: Base-Base interactions energy: -1789.660 where: short stacking energy: -797.077 Base-Backbone interact. energy: -0.232 local terms energy: -846.106272 where: bonds (distance) C4'-P energy: -160.426 bonds (distance) P-C4' energy: -152.940 flat angles C4'-P-C4' energy: -186.011 flat angles P-C4'-P energy: -111.651 tors. eta vs tors. theta energy: -235.079 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: 3, replica: 3 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2514.584470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.584470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.584470 (E_RNA) where: Base-Base interactions energy: -1693.635 where: short stacking energy: -755.371 Base-Backbone interact. energy: 2.365 local terms energy: -823.313844 where: bonds (distance) C4'-P energy: -153.805 bonds (distance) P-C4' energy: -153.624 flat angles C4'-P-C4' energy: -181.469 flat angles P-C4'-P energy: -116.005 tors. eta vs tors. theta energy: -218.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2376.790571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.790571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.790571 (E_RNA) where: Base-Base interactions energy: -1628.100 where: short stacking energy: -667.593 Base-Backbone interact. energy: -4.028 local terms energy: -744.661730 where: bonds (distance) C4'-P energy: -143.342 bonds (distance) P-C4' energy: -156.649 flat angles C4'-P-C4' energy: -156.831 flat angles P-C4'-P energy: -105.882 tors. eta vs tors. theta energy: -181.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2221.596659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.596659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.596659 (E_RNA) where: Base-Base interactions energy: -1486.000 where: short stacking energy: -626.940 Base-Backbone interact. energy: -0.284 local terms energy: -735.312460 where: bonds (distance) C4'-P energy: -151.663 bonds (distance) P-C4' energy: -161.277 flat angles C4'-P-C4' energy: -155.408 flat angles P-C4'-P energy: -102.300 tors. eta vs tors. theta energy: -164.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1898.402281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.402281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.402281 (E_RNA) where: Base-Base interactions energy: -1271.983 where: short stacking energy: -558.003 Base-Backbone interact. energy: 1.187 local terms energy: -627.605781 where: bonds (distance) C4'-P energy: -128.324 bonds (distance) P-C4' energy: -143.457 flat angles C4'-P-C4' energy: -162.528 flat angles P-C4'-P energy: -77.354 tors. eta vs tors. theta energy: -115.942 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: 7 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1602.484825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.484825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.484825 (E_RNA) where: Base-Base interactions energy: -1012.451 where: short stacking energy: -469.513 Base-Backbone interact. energy: -3.785 local terms energy: -586.248961 where: bonds (distance) C4'-P energy: -118.016 bonds (distance) P-C4' energy: -140.759 flat angles C4'-P-C4' energy: -135.126 flat angles P-C4'-P energy: -85.662 tors. eta vs tors. theta energy: -106.686 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: 8 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1414.512881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.512881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.512881 (E_RNA) where: Base-Base interactions energy: -860.717 where: short stacking energy: -405.545 Base-Backbone interact. energy: -1.499 local terms energy: -552.296942 where: bonds (distance) C4'-P energy: -134.201 bonds (distance) P-C4' energy: -117.419 flat angles C4'-P-C4' energy: -126.814 flat angles P-C4'-P energy: -94.787 tors. eta vs tors. theta energy: -79.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -952.286267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.286267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.286267 (E_RNA) where: Base-Base interactions energy: -478.016 where: short stacking energy: -272.544 Base-Backbone interact. energy: 3.866 local terms energy: -478.135976 where: bonds (distance) C4'-P energy: -144.355 bonds (distance) P-C4' energy: -132.417 flat angles C4'-P-C4' energy: -107.787 flat angles P-C4'-P energy: -69.169 tors. eta vs tors. theta energy: -24.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -607.538275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.538275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.538275 (E_RNA) where: Base-Base interactions energy: -210.178 where: short stacking energy: -187.784 Base-Backbone interact. energy: 2.470 local terms energy: -399.830539 where: bonds (distance) C4'-P energy: -139.810 bonds (distance) P-C4' energy: -123.540 flat angles C4'-P-C4' energy: -105.969 flat angles P-C4'-P energy: -70.383 tors. eta vs tors. theta energy: 39.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2682.098850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.098850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.098850 (E_RNA) where: Base-Base interactions energy: -1824.178 where: short stacking energy: -782.898 Base-Backbone interact. energy: -2.502 local terms energy: -855.419050 where: bonds (distance) C4'-P energy: -158.377 bonds (distance) P-C4' energy: -168.968 flat angles C4'-P-C4' energy: -193.364 flat angles P-C4'-P energy: -121.907 tors. eta vs tors. theta energy: -212.803 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: 1 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2660.844548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.844548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.844548 (E_RNA) where: Base-Base interactions energy: -1793.524 where: short stacking energy: -829.528 Base-Backbone interact. energy: -2.370 local terms energy: -864.950190 where: bonds (distance) C4'-P energy: -145.698 bonds (distance) P-C4' energy: -160.448 flat angles C4'-P-C4' energy: -179.950 flat angles P-C4'-P energy: -129.657 tors. eta vs tors. theta energy: -249.196 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: 3, replica: 3 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2471.482852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.482852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.482852 (E_RNA) where: Base-Base interactions energy: -1656.179 where: short stacking energy: -748.925 Base-Backbone interact. energy: -3.275 local terms energy: -812.028810 where: bonds (distance) C4'-P energy: -137.579 bonds (distance) P-C4' energy: -171.662 flat angles C4'-P-C4' energy: -186.003 flat angles P-C4'-P energy: -104.290 tors. eta vs tors. theta energy: -212.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2381.213415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.213415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.213415 (E_RNA) where: Base-Base interactions energy: -1633.363 where: short stacking energy: -692.030 Base-Backbone interact. energy: -6.418 local terms energy: -741.433207 where: bonds (distance) C4'-P energy: -143.939 bonds (distance) P-C4' energy: -134.930 flat angles C4'-P-C4' energy: -160.774 flat angles P-C4'-P energy: -112.196 tors. eta vs tors. theta energy: -189.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2218.282661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.282661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.282661 (E_RNA) where: Base-Base interactions energy: -1527.456 where: short stacking energy: -644.643 Base-Backbone interact. energy: 1.361 local terms energy: -692.188097 where: bonds (distance) C4'-P energy: -124.191 bonds (distance) P-C4' energy: -137.554 flat angles C4'-P-C4' energy: -159.991 flat angles P-C4'-P energy: -99.836 tors. eta vs tors. theta energy: -170.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1855.551779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.551779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.551779 (E_RNA) where: Base-Base interactions energy: -1198.344 where: short stacking energy: -524.200 Base-Backbone interact. energy: -3.266 local terms energy: -653.941807 where: bonds (distance) C4'-P energy: -157.988 bonds (distance) P-C4' energy: -139.657 flat angles C4'-P-C4' energy: -147.991 flat angles P-C4'-P energy: -101.003 tors. eta vs tors. theta energy: -107.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1493.167495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.167495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.167495 (E_RNA) where: Base-Base interactions energy: -885.272 where: short stacking energy: -423.852 Base-Backbone interact. energy: -1.400 local terms energy: -606.494949 where: bonds (distance) C4'-P energy: -141.413 bonds (distance) P-C4' energy: -154.022 flat angles C4'-P-C4' energy: -130.816 flat angles P-C4'-P energy: -96.418 tors. eta vs tors. theta energy: -83.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1379.606401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.606401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.606401 (E_RNA) where: Base-Base interactions energy: -818.871 where: short stacking energy: -395.811 Base-Backbone interact. energy: -2.039 local terms energy: -558.695897 where: bonds (distance) C4'-P energy: -123.206 bonds (distance) P-C4' energy: -142.171 flat angles C4'-P-C4' energy: -154.031 flat angles P-C4'-P energy: -74.689 tors. eta vs tors. theta energy: -64.599 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: 9, replica: 6 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -915.648819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.648819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.648819 (E_RNA) where: Base-Base interactions energy: -456.926 where: short stacking energy: -246.447 Base-Backbone interact. energy: -4.280 local terms energy: -454.442844 where: bonds (distance) C4'-P energy: -125.982 bonds (distance) P-C4' energy: -109.366 flat angles C4'-P-C4' energy: -121.686 flat angles P-C4'-P energy: -93.170 tors. eta vs tors. theta energy: -4.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -610.801776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.801776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.801776 (E_RNA) where: Base-Base interactions energy: -215.801 where: short stacking energy: -167.554 Base-Backbone interact. energy: 2.889 local terms energy: -397.890138 where: bonds (distance) C4'-P energy: -118.467 bonds (distance) P-C4' energy: -117.327 flat angles C4'-P-C4' energy: -118.804 flat angles P-C4'-P energy: -75.760 tors. eta vs tors. theta energy: 32.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2703.539419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.539419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.539419 (E_RNA) where: Base-Base interactions energy: -1807.648 where: short stacking energy: -838.294 Base-Backbone interact. energy: 0.067 local terms energy: -895.959014 where: bonds (distance) C4'-P energy: -176.170 bonds (distance) P-C4' energy: -159.408 flat angles C4'-P-C4' energy: -186.429 flat angles P-C4'-P energy: -128.597 tors. eta vs tors. theta energy: -245.355 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: 2 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2612.602242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.602242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.602242 (E_RNA) where: Base-Base interactions energy: -1824.191 where: short stacking energy: -741.418 Base-Backbone interact. energy: -1.424 local terms energy: -786.986858 where: bonds (distance) C4'-P energy: -157.088 bonds (distance) P-C4' energy: -144.531 flat angles C4'-P-C4' energy: -169.037 flat angles P-C4'-P energy: -123.575 tors. eta vs tors. theta energy: -192.757 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: 3, replica: 3 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2523.606473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.606473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.606473 (E_RNA) where: Base-Base interactions energy: -1709.940 where: short stacking energy: -715.738 Base-Backbone interact. energy: -3.164 local terms energy: -810.503312 where: bonds (distance) C4'-P energy: -160.820 bonds (distance) P-C4' energy: -147.494 flat angles C4'-P-C4' energy: -183.990 flat angles P-C4'-P energy: -117.818 tors. eta vs tors. theta energy: -200.381 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: 9 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2386.580251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.580251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.580251 (E_RNA) where: Base-Base interactions energy: -1634.471 where: short stacking energy: -696.066 Base-Backbone interact. energy: -0.547 local terms energy: -751.561823 where: bonds (distance) C4'-P energy: -132.293 bonds (distance) P-C4' energy: -151.452 flat angles C4'-P-C4' energy: -166.544 flat angles P-C4'-P energy: -114.638 tors. eta vs tors. theta energy: -186.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2255.404305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.404305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.404305 (E_RNA) where: Base-Base interactions energy: -1536.502 where: short stacking energy: -650.980 Base-Backbone interact. energy: -1.951 local terms energy: -716.950767 where: bonds (distance) C4'-P energy: -132.132 bonds (distance) P-C4' energy: -130.217 flat angles C4'-P-C4' energy: -152.828 flat angles P-C4'-P energy: -117.774 tors. eta vs tors. theta energy: -184.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1850.863724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.863724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.863724 (E_RNA) where: Base-Base interactions energy: -1211.497 where: short stacking energy: -536.075 Base-Backbone interact. energy: -2.706 local terms energy: -636.660881 where: bonds (distance) C4'-P energy: -121.287 bonds (distance) P-C4' energy: -139.844 flat angles C4'-P-C4' energy: -152.137 flat angles P-C4'-P energy: -105.350 tors. eta vs tors. theta energy: -118.043 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: 7 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1598.439546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.439546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.439546 (E_RNA) where: Base-Base interactions energy: -1001.426 where: short stacking energy: -431.376 Base-Backbone interact. energy: 0.651 local terms energy: -597.663710 where: bonds (distance) C4'-P energy: -126.292 bonds (distance) P-C4' energy: -149.284 flat angles C4'-P-C4' energy: -167.903 flat angles P-C4'-P energy: -84.287 tors. eta vs tors. theta energy: -69.898 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: 8 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1384.143595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.143595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.143595 (E_RNA) where: Base-Base interactions energy: -821.178 where: short stacking energy: -366.218 Base-Backbone interact. energy: -2.524 local terms energy: -560.441840 where: bonds (distance) C4'-P energy: -133.100 bonds (distance) P-C4' energy: -153.055 flat angles C4'-P-C4' energy: -131.736 flat angles P-C4'-P energy: -86.154 tors. eta vs tors. theta energy: -56.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -976.205152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.205152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.205152 (E_RNA) where: Base-Base interactions energy: -512.426 where: short stacking energy: -277.575 Base-Backbone interact. energy: 1.415 local terms energy: -465.193865 where: bonds (distance) C4'-P energy: -117.829 bonds (distance) P-C4' energy: -144.576 flat angles C4'-P-C4' energy: -115.441 flat angles P-C4'-P energy: -67.440 tors. eta vs tors. theta energy: -19.908 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: 10, replica: 10 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -633.555220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.555220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.555220 (E_RNA) where: Base-Base interactions energy: -254.963 where: short stacking energy: -218.422 Base-Backbone interact. energy: 4.516 local terms energy: -383.107945 where: bonds (distance) C4'-P energy: -116.570 bonds (distance) P-C4' energy: -126.526 flat angles C4'-P-C4' energy: -106.948 flat angles P-C4'-P energy: -55.667 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: 1, replica: 1 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2718.090942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.090942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.090942 (E_RNA) where: Base-Base interactions energy: -1833.010 where: short stacking energy: -855.787 Base-Backbone interact. energy: 1.087 local terms energy: -886.168330 where: bonds (distance) C4'-P energy: -149.959 bonds (distance) P-C4' energy: -170.946 flat angles C4'-P-C4' energy: -187.339 flat angles P-C4'-P energy: -120.259 tors. eta vs tors. theta energy: -257.665 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: 2 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2607.780274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.780274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.780274 (E_RNA) where: Base-Base interactions energy: -1812.729 where: short stacking energy: -768.615 Base-Backbone interact. energy: -3.952 local terms energy: -791.098945 where: bonds (distance) C4'-P energy: -146.792 bonds (distance) P-C4' energy: -144.220 flat angles C4'-P-C4' energy: -181.248 flat angles P-C4'-P energy: -110.769 tors. eta vs tors. theta energy: -208.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2491.206594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.206594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.206594 (E_RNA) where: Base-Base interactions energy: -1688.598 where: short stacking energy: -713.384 Base-Backbone interact. energy: -6.415 local terms energy: -796.193197 where: bonds (distance) C4'-P energy: -145.093 bonds (distance) P-C4' energy: -158.193 flat angles C4'-P-C4' energy: -181.649 flat angles P-C4'-P energy: -103.374 tors. eta vs tors. theta energy: -207.885 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: 9 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2361.118656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.118656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.118656 (E_RNA) where: Base-Base interactions energy: -1628.709 where: short stacking energy: -683.992 Base-Backbone interact. energy: -1.984 local terms energy: -730.426112 where: bonds (distance) C4'-P energy: -146.737 bonds (distance) P-C4' energy: -155.265 flat angles C4'-P-C4' energy: -156.110 flat angles P-C4'-P energy: -97.137 tors. eta vs tors. theta energy: -175.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2277.323452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.323452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.323452 (E_RNA) where: Base-Base interactions energy: -1537.295 where: short stacking energy: -662.204 Base-Backbone interact. energy: -2.788 local terms energy: -737.241048 where: bonds (distance) C4'-P energy: -143.928 bonds (distance) P-C4' energy: -145.617 flat angles C4'-P-C4' energy: -156.177 flat angles P-C4'-P energy: -108.265 tors. eta vs tors. theta energy: -183.254 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: 5 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1889.361147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.361147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.361147 (E_RNA) where: Base-Base interactions energy: -1265.268 where: short stacking energy: -537.588 Base-Backbone interact. energy: 2.964 local terms energy: -627.057586 where: bonds (distance) C4'-P energy: -134.664 bonds (distance) P-C4' energy: -143.070 flat angles C4'-P-C4' energy: -140.634 flat angles P-C4'-P energy: -90.417 tors. eta vs tors. theta energy: -118.272 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: 7, replica: 7 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1641.422639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.422639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.422639 (E_RNA) where: Base-Base interactions energy: -1053.199 where: short stacking energy: -491.601 Base-Backbone interact. energy: -2.710 local terms energy: -585.513889 where: bonds (distance) C4'-P energy: -137.710 bonds (distance) P-C4' energy: -138.051 flat angles C4'-P-C4' energy: -133.532 flat angles P-C4'-P energy: -77.888 tors. eta vs tors. theta energy: -98.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1329.422729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.422729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.422729 (E_RNA) where: Base-Base interactions energy: -789.414 where: short stacking energy: -386.593 Base-Backbone interact. energy: 0.243 local terms energy: -540.252112 where: bonds (distance) C4'-P energy: -137.846 bonds (distance) P-C4' energy: -121.074 flat angles C4'-P-C4' energy: -130.984 flat angles P-C4'-P energy: -84.515 tors. eta vs tors. theta energy: -65.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1019.988712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.988712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.988712 (E_RNA) where: Base-Base interactions energy: -535.679 where: short stacking energy: -288.280 Base-Backbone interact. energy: -0.636 local terms energy: -483.673713 where: bonds (distance) C4'-P energy: -128.164 bonds (distance) P-C4' energy: -125.812 flat angles C4'-P-C4' energy: -134.984 flat angles P-C4'-P energy: -72.562 tors. eta vs tors. theta energy: -22.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -671.435966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.435966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.435966 (E_RNA) where: Base-Base interactions energy: -218.739 where: short stacking energy: -179.981 Base-Backbone interact. energy: -1.737 local terms energy: -450.959955 where: bonds (distance) C4'-P energy: -134.885 bonds (distance) P-C4' energy: -151.201 flat angles C4'-P-C4' energy: -96.381 flat angles P-C4'-P energy: -74.355 tors. eta vs tors. theta energy: 5.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2721.602569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.602569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.602569 (E_RNA) where: Base-Base interactions energy: -1823.105 where: short stacking energy: -841.458 Base-Backbone interact. energy: -0.455 local terms energy: -898.042388 where: bonds (distance) C4'-P energy: -170.624 bonds (distance) P-C4' energy: -161.787 flat angles C4'-P-C4' energy: -181.760 flat angles P-C4'-P energy: -128.940 tors. eta vs tors. theta energy: -254.931 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: 2 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2610.506656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.506656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.506656 (E_RNA) where: Base-Base interactions energy: -1806.253 where: short stacking energy: -742.613 Base-Backbone interact. energy: 1.216 local terms energy: -805.469545 where: bonds (distance) C4'-P energy: -163.131 bonds (distance) P-C4' energy: -150.085 flat angles C4'-P-C4' energy: -175.350 flat angles P-C4'-P energy: -116.702 tors. eta vs tors. theta energy: -200.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2535.895268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.895268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.895268 (E_RNA) where: Base-Base interactions energy: -1756.077 where: short stacking energy: -764.322 Base-Backbone interact. energy: -0.396 local terms energy: -779.421849 where: bonds (distance) C4'-P energy: -146.667 bonds (distance) P-C4' energy: -152.045 flat angles C4'-P-C4' energy: -154.123 flat angles P-C4'-P energy: -116.246 tors. eta vs tors. theta energy: -210.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2368.398278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.398278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.398278 (E_RNA) where: Base-Base interactions energy: -1618.031 where: short stacking energy: -669.721 Base-Backbone interact. energy: -4.274 local terms energy: -746.092875 where: bonds (distance) C4'-P energy: -140.251 bonds (distance) P-C4' energy: -149.778 flat angles C4'-P-C4' energy: -170.207 flat angles P-C4'-P energy: -107.747 tors. eta vs tors. theta energy: -178.110 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: 4 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2245.303146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.303146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.303146 (E_RNA) where: Base-Base interactions energy: -1499.496 where: short stacking energy: -658.666 Base-Backbone interact. energy: 1.787 local terms energy: -747.593836 where: bonds (distance) C4'-P energy: -146.323 bonds (distance) P-C4' energy: -143.135 flat angles C4'-P-C4' energy: -158.408 flat angles P-C4'-P energy: -113.107 tors. eta vs tors. theta energy: -186.621 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: 5 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1912.221597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.221597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.221597 (E_RNA) where: Base-Base interactions energy: -1289.155 where: short stacking energy: -543.660 Base-Backbone interact. energy: -3.149 local terms energy: -619.917110 where: bonds (distance) C4'-P energy: -121.913 bonds (distance) P-C4' energy: -134.781 flat angles C4'-P-C4' energy: -149.874 flat angles P-C4'-P energy: -100.865 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: 7, replica: 7 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1671.040256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.040256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.040256 (E_RNA) where: Base-Base interactions energy: -1073.783 where: short stacking energy: -466.919 Base-Backbone interact. energy: 0.418 local terms energy: -597.675373 where: bonds (distance) C4'-P energy: -124.763 bonds (distance) P-C4' energy: -146.877 flat angles C4'-P-C4' energy: -137.629 flat angles P-C4'-P energy: -92.128 tors. eta vs tors. theta energy: -96.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1380.873806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.873806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.873806 (E_RNA) where: Base-Base interactions energy: -845.882 where: short stacking energy: -427.664 Base-Backbone interact. energy: 1.126 local terms energy: -536.117944 where: bonds (distance) C4'-P energy: -118.991 bonds (distance) P-C4' energy: -140.247 flat angles C4'-P-C4' energy: -125.575 flat angles P-C4'-P energy: -91.085 tors. eta vs tors. theta energy: -60.220 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: 9, replica: 6 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -986.131034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.131034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.131034 (E_RNA) where: Base-Base interactions energy: -507.398 where: short stacking energy: -264.212 Base-Backbone interact. energy: -2.941 local terms energy: -475.792374 where: bonds (distance) C4'-P energy: -129.293 bonds (distance) P-C4' energy: -155.655 flat angles C4'-P-C4' energy: -111.812 flat angles P-C4'-P energy: -56.183 tors. eta vs tors. theta energy: -22.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -606.047378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.047378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.047378 (E_RNA) where: Base-Base interactions energy: -211.810 where: short stacking energy: -170.230 Base-Backbone interact. energy: 5.126 local terms energy: -399.363253 where: bonds (distance) C4'-P energy: -159.581 bonds (distance) P-C4' energy: -115.186 flat angles C4'-P-C4' energy: -115.371 flat angles P-C4'-P energy: -52.194 tors. eta vs tors. theta energy: 42.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2705.743094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.743094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.743094 (E_RNA) where: Base-Base interactions energy: -1828.747 where: short stacking energy: -825.442 Base-Backbone interact. energy: -3.236 local terms energy: -873.760127 where: bonds (distance) C4'-P energy: -150.978 bonds (distance) P-C4' energy: -158.310 flat angles C4'-P-C4' energy: -185.905 flat angles P-C4'-P energy: -124.142 tors. eta vs tors. theta energy: -254.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2567.804365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.804365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.804365 (E_RNA) where: Base-Base interactions energy: -1726.901 where: short stacking energy: -769.099 Base-Backbone interact. energy: -2.484 local terms energy: -838.419436 where: bonds (distance) C4'-P energy: -163.933 bonds (distance) P-C4' energy: -159.882 flat angles C4'-P-C4' energy: -178.563 flat angles P-C4'-P energy: -128.015 tors. eta vs tors. theta energy: -208.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2481.273476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.273476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.273476 (E_RNA) where: Base-Base interactions energy: -1716.990 where: short stacking energy: -740.290 Base-Backbone interact. energy: -0.986 local terms energy: -763.297417 where: bonds (distance) C4'-P energy: -160.010 bonds (distance) P-C4' energy: -150.326 flat angles C4'-P-C4' energy: -152.870 flat angles P-C4'-P energy: -92.395 tors. eta vs tors. theta energy: -207.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2373.439966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.439966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.439966 (E_RNA) where: Base-Base interactions energy: -1590.059 where: short stacking energy: -684.193 Base-Backbone interact. energy: -3.332 local terms energy: -780.049172 where: bonds (distance) C4'-P energy: -147.229 bonds (distance) P-C4' energy: -165.143 flat angles C4'-P-C4' energy: -181.038 flat angles P-C4'-P energy: -107.869 tors. eta vs tors. theta energy: -178.769 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: 4 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2226.037141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.037141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.037141 (E_RNA) where: Base-Base interactions energy: -1500.714 where: short stacking energy: -653.735 Base-Backbone interact. energy: -1.391 local terms energy: -723.932690 where: bonds (distance) C4'-P energy: -147.495 bonds (distance) P-C4' energy: -136.605 flat angles C4'-P-C4' energy: -165.691 flat angles P-C4'-P energy: -105.251 tors. eta vs tors. theta energy: -168.891 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: 5 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1816.914962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.914962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.914962 (E_RNA) where: Base-Base interactions energy: -1205.615 where: short stacking energy: -543.587 Base-Backbone interact. energy: 0.135 local terms energy: -611.434912 where: bonds (distance) C4'-P energy: -110.817 bonds (distance) P-C4' energy: -134.429 flat angles C4'-P-C4' energy: -158.447 flat angles P-C4'-P energy: -90.656 tors. eta vs tors. theta energy: -117.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1667.502686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.502686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.502686 (E_RNA) where: Base-Base interactions energy: -1072.232 where: short stacking energy: -481.764 Base-Backbone interact. energy: -3.875 local terms energy: -591.395927 where: bonds (distance) C4'-P energy: -129.563 bonds (distance) P-C4' energy: -140.017 flat angles C4'-P-C4' energy: -140.451 flat angles P-C4'-P energy: -87.485 tors. eta vs tors. theta energy: -93.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1400.818302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.818302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.818302 (E_RNA) where: Base-Base interactions energy: -828.297 where: short stacking energy: -423.224 Base-Backbone interact. energy: -3.720 local terms energy: -568.800556 where: bonds (distance) C4'-P energy: -133.605 bonds (distance) P-C4' energy: -154.923 flat angles C4'-P-C4' energy: -124.287 flat angles P-C4'-P energy: -89.031 tors. eta vs tors. theta energy: -66.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -926.697103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.697103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.697103 (E_RNA) where: Base-Base interactions energy: -470.448 where: short stacking energy: -273.314 Base-Backbone interact. energy: 1.083 local terms energy: -457.332024 where: bonds (distance) C4'-P energy: -137.122 bonds (distance) P-C4' energy: -149.009 flat angles C4'-P-C4' energy: -99.827 flat angles P-C4'-P energy: -64.762 tors. eta vs tors. theta energy: -6.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -621.780070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.780070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.780070 (E_RNA) where: Base-Base interactions energy: -188.601 where: short stacking energy: -167.305 Base-Backbone interact. energy: -1.268 local terms energy: -431.911777 where: bonds (distance) C4'-P energy: -145.092 bonds (distance) P-C4' energy: -146.015 flat angles C4'-P-C4' energy: -111.048 flat angles P-C4'-P energy: -64.922 tors. eta vs tors. theta energy: 35.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2713.750161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.750161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.750161 (E_RNA) where: Base-Base interactions energy: -1819.558 where: short stacking energy: -847.848 Base-Backbone interact. energy: -1.574 local terms energy: -892.617989 where: bonds (distance) C4'-P energy: -165.788 bonds (distance) P-C4' energy: -163.638 flat angles C4'-P-C4' energy: -175.499 flat angles P-C4'-P energy: -136.226 tors. eta vs tors. theta energy: -251.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2620.092582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.092582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.092582 (E_RNA) where: Base-Base interactions energy: -1765.526 where: short stacking energy: -795.449 Base-Backbone interact. energy: -2.752 local terms energy: -851.814741 where: bonds (distance) C4'-P energy: -158.150 bonds (distance) P-C4' energy: -158.637 flat angles C4'-P-C4' energy: -194.695 flat angles P-C4'-P energy: -126.790 tors. eta vs tors. theta energy: -213.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2530.396263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.396263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.396263 (E_RNA) where: Base-Base interactions energy: -1729.939 where: short stacking energy: -779.912 Base-Backbone interact. energy: 0.133 local terms energy: -800.590666 where: bonds (distance) C4'-P energy: -146.914 bonds (distance) P-C4' energy: -153.970 flat angles C4'-P-C4' energy: -158.418 flat angles P-C4'-P energy: -118.867 tors. eta vs tors. theta energy: -222.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2427.073892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.073892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.073892 (E_RNA) where: Base-Base interactions energy: -1636.345 where: short stacking energy: -707.071 Base-Backbone interact. energy: 1.785 local terms energy: -792.513912 where: bonds (distance) C4'-P energy: -165.562 bonds (distance) P-C4' energy: -163.764 flat angles C4'-P-C4' energy: -158.652 flat angles P-C4'-P energy: -111.419 tors. eta vs tors. theta energy: -193.117 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: 404 Temperature: 1.100000 Total energy: -2154.978844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.978844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.978844 (E_RNA) where: Base-Base interactions energy: -1420.779 where: short stacking energy: -627.370 Base-Backbone interact. energy: -2.978 local terms energy: -731.221161 where: bonds (distance) C4'-P energy: -147.381 bonds (distance) P-C4' energy: -161.326 flat angles C4'-P-C4' energy: -149.903 flat angles P-C4'-P energy: -103.753 tors. eta vs tors. theta energy: -168.859 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: 6, replica: 5 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1850.966893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.966893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.966893 (E_RNA) where: Base-Base interactions energy: -1202.428 where: short stacking energy: -557.204 Base-Backbone interact. energy: -1.937 local terms energy: -646.601336 where: bonds (distance) C4'-P energy: -134.737 bonds (distance) P-C4' energy: -146.537 flat angles C4'-P-C4' energy: -155.519 flat angles P-C4'-P energy: -88.521 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: 7, replica: 7 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1643.376237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.376237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.376237 (E_RNA) where: Base-Base interactions energy: -1082.453 where: short stacking energy: -500.270 Base-Backbone interact. energy: -3.128 local terms energy: -557.795116 where: bonds (distance) C4'-P energy: -121.062 bonds (distance) P-C4' energy: -144.869 flat angles C4'-P-C4' energy: -126.153 flat angles P-C4'-P energy: -74.781 tors. eta vs tors. theta energy: -90.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1364.284436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.284436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.284436 (E_RNA) where: Base-Base interactions energy: -809.006 where: short stacking energy: -397.854 Base-Backbone interact. energy: 3.087 local terms energy: -558.365045 where: bonds (distance) C4'-P energy: -130.904 bonds (distance) P-C4' energy: -153.470 flat angles C4'-P-C4' energy: -122.127 flat angles P-C4'-P energy: -74.250 tors. eta vs tors. theta energy: -77.614 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: 6 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -888.367833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.367833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.367833 (E_RNA) where: Base-Base interactions energy: -429.828 where: short stacking energy: -222.267 Base-Backbone interact. energy: 1.016 local terms energy: -459.556348 where: bonds (distance) C4'-P energy: -142.748 bonds (distance) P-C4' energy: -150.591 flat angles C4'-P-C4' energy: -104.956 flat angles P-C4'-P energy: -67.205 tors. eta vs tors. theta energy: 5.944 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: 10 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -621.995639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.995639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.995639 (E_RNA) where: Base-Base interactions energy: -220.816 where: short stacking energy: -158.213 Base-Backbone interact. energy: -1.080 local terms energy: -400.099680 where: bonds (distance) C4'-P energy: -110.397 bonds (distance) P-C4' energy: -138.318 flat angles C4'-P-C4' energy: -93.449 flat angles P-C4'-P energy: -83.889 tors. eta vs tors. theta energy: 25.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2728.911108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.911108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.911108 (E_RNA) where: Base-Base interactions energy: -1828.818 where: short stacking energy: -819.580 Base-Backbone interact. energy: -4.273 local terms energy: -895.820481 where: bonds (distance) C4'-P energy: -153.120 bonds (distance) P-C4' energy: -180.150 flat angles C4'-P-C4' energy: -181.935 flat angles P-C4'-P energy: -137.825 tors. eta vs tors. theta energy: -242.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2628.389852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.389852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.389852 (E_RNA) where: Base-Base interactions energy: -1781.786 where: short stacking energy: -767.429 Base-Backbone interact. energy: -4.037 local terms energy: -842.566797 where: bonds (distance) C4'-P energy: -162.872 bonds (distance) P-C4' energy: -162.787 flat angles C4'-P-C4' energy: -178.634 flat angles P-C4'-P energy: -118.897 tors. eta vs tors. theta energy: -219.376 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: 3 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2574.919545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.919545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.919545 (E_RNA) where: Base-Base interactions energy: -1765.565 where: short stacking energy: -800.880 Base-Backbone interact. energy: -1.439 local terms energy: -807.915651 where: bonds (distance) C4'-P energy: -137.779 bonds (distance) P-C4' energy: -142.750 flat angles C4'-P-C4' energy: -170.827 flat angles P-C4'-P energy: -117.083 tors. eta vs tors. theta energy: -239.477 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: 4, replica: 9 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2375.707495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.707495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.707495 (E_RNA) where: Base-Base interactions energy: -1599.129 where: short stacking energy: -713.262 Base-Backbone interact. energy: -3.424 local terms energy: -773.154149 where: bonds (distance) C4'-P energy: -151.556 bonds (distance) P-C4' energy: -148.366 flat angles C4'-P-C4' energy: -161.065 flat angles P-C4'-P energy: -116.354 tors. eta vs tors. theta energy: -195.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2228.969309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.969309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.969309 (E_RNA) where: Base-Base interactions energy: -1505.958 where: short stacking energy: -639.064 Base-Backbone interact. energy: 0.334 local terms energy: -723.344901 where: bonds (distance) C4'-P energy: -145.498 bonds (distance) P-C4' energy: -151.457 flat angles C4'-P-C4' energy: -149.929 flat angles P-C4'-P energy: -112.396 tors. eta vs tors. theta energy: -164.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1858.848629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.848629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.848629 (E_RNA) where: Base-Base interactions energy: -1209.751 where: short stacking energy: -533.312 Base-Backbone interact. energy: -1.105 local terms energy: -647.993467 where: bonds (distance) C4'-P energy: -145.095 bonds (distance) P-C4' energy: -151.873 flat angles C4'-P-C4' energy: -151.650 flat angles P-C4'-P energy: -89.315 tors. eta vs tors. theta energy: -110.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1692.450401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.450401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.450401 (E_RNA) where: Base-Base interactions energy: -1075.721 where: short stacking energy: -495.069 Base-Backbone interact. energy: -0.075 local terms energy: -616.654412 where: bonds (distance) C4'-P energy: -134.769 bonds (distance) P-C4' energy: -153.131 flat angles C4'-P-C4' energy: -128.449 flat angles P-C4'-P energy: -88.373 tors. eta vs tors. theta energy: -111.932 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: 8 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1375.536911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.536911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.536911 (E_RNA) where: Base-Base interactions energy: -832.475 where: short stacking energy: -414.496 Base-Backbone interact. energy: 1.679 local terms energy: -544.741098 where: bonds (distance) C4'-P energy: -136.731 bonds (distance) P-C4' energy: -134.499 flat angles C4'-P-C4' energy: -133.184 flat angles P-C4'-P energy: -88.723 tors. eta vs tors. theta energy: -51.605 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: 9, replica: 6 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -891.555017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.555017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.555017 (E_RNA) where: Base-Base interactions energy: -450.889 where: short stacking energy: -289.738 Base-Backbone interact. energy: 2.170 local terms energy: -442.836783 where: bonds (distance) C4'-P energy: -110.518 bonds (distance) P-C4' energy: -123.586 flat angles C4'-P-C4' energy: -136.080 flat angles P-C4'-P energy: -71.957 tors. eta vs tors. theta energy: -0.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -630.883265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.883265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.883265 (E_RNA) where: Base-Base interactions energy: -248.795 where: short stacking energy: -181.936 Base-Backbone interact. energy: -0.146 local terms energy: -381.942542 where: bonds (distance) C4'-P energy: -123.317 bonds (distance) P-C4' energy: -127.514 flat angles C4'-P-C4' energy: -111.048 flat angles P-C4'-P energy: -50.390 tors. eta vs tors. theta energy: 30.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2766.498452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.498452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.498452 (E_RNA) where: Base-Base interactions energy: -1873.482 where: short stacking energy: -866.131 Base-Backbone interact. energy: -1.060 local terms energy: -891.957022 where: bonds (distance) C4'-P energy: -164.008 bonds (distance) P-C4' energy: -159.307 flat angles C4'-P-C4' energy: -180.923 flat angles P-C4'-P energy: -121.014 tors. eta vs tors. theta energy: -266.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2609.749007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.749007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.749007 (E_RNA) where: Base-Base interactions energy: -1798.321 where: short stacking energy: -772.066 Base-Backbone interact. energy: -2.144 local terms energy: -809.283319 where: bonds (distance) C4'-P energy: -143.371 bonds (distance) P-C4' energy: -142.588 flat angles C4'-P-C4' energy: -187.959 flat angles P-C4'-P energy: -119.584 tors. eta vs tors. theta energy: -215.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2498.830466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.830466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.830466 (E_RNA) where: Base-Base interactions energy: -1687.471 where: short stacking energy: -730.355 Base-Backbone interact. energy: -8.169 local terms energy: -803.189612 where: bonds (distance) C4'-P energy: -156.124 bonds (distance) P-C4' energy: -155.840 flat angles C4'-P-C4' energy: -178.162 flat angles P-C4'-P energy: -114.457 tors. eta vs tors. theta energy: -198.607 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: 9 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2394.261852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.261852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.261852 (E_RNA) where: Base-Base interactions energy: -1625.632 where: short stacking energy: -711.849 Base-Backbone interact. energy: 1.911 local terms energy: -770.540722 where: bonds (distance) C4'-P energy: -154.042 bonds (distance) P-C4' energy: -145.232 flat angles C4'-P-C4' energy: -175.988 flat angles P-C4'-P energy: -105.113 tors. eta vs tors. theta energy: -190.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2250.285309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.285309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.285309 (E_RNA) where: Base-Base interactions energy: -1516.242 where: short stacking energy: -655.285 Base-Backbone interact. energy: 3.696 local terms energy: -737.738777 where: bonds (distance) C4'-P energy: -138.824 bonds (distance) P-C4' energy: -138.593 flat angles C4'-P-C4' energy: -181.220 flat angles P-C4'-P energy: -112.217 tors. eta vs tors. theta energy: -166.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1859.753998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.753998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.753998 (E_RNA) where: Base-Base interactions energy: -1213.444 where: short stacking energy: -555.680 Base-Backbone interact. energy: -4.064 local terms energy: -642.246713 where: bonds (distance) C4'-P energy: -136.277 bonds (distance) P-C4' energy: -150.931 flat angles C4'-P-C4' energy: -135.589 flat angles P-C4'-P energy: -88.410 tors. eta vs tors. theta energy: -131.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1679.854990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.854990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.854990 (E_RNA) where: Base-Base interactions energy: -1050.582 where: short stacking energy: -486.213 Base-Backbone interact. energy: -2.917 local terms energy: -626.356552 where: bonds (distance) C4'-P energy: -130.975 bonds (distance) P-C4' energy: -152.642 flat angles C4'-P-C4' energy: -152.876 flat angles P-C4'-P energy: -77.940 tors. eta vs tors. theta energy: -111.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1346.339932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.339932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.339932 (E_RNA) where: Base-Base interactions energy: -800.515 where: short stacking energy: -393.664 Base-Backbone interact. energy: -1.403 local terms energy: -544.421560 where: bonds (distance) C4'-P energy: -145.695 bonds (distance) P-C4' energy: -123.116 flat angles C4'-P-C4' energy: -129.974 flat angles P-C4'-P energy: -79.970 tors. eta vs tors. theta energy: -65.666 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: 9, replica: 6 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -844.824430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.824430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.824430 (E_RNA) where: Base-Base interactions energy: -406.171 where: short stacking energy: -257.255 Base-Backbone interact. energy: 1.812 local terms energy: -440.465795 where: bonds (distance) C4'-P energy: -128.763 bonds (distance) P-C4' energy: -130.460 flat angles C4'-P-C4' energy: -109.988 flat angles P-C4'-P energy: -74.803 tors. eta vs tors. theta energy: 3.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -684.247975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.247975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.247975 (E_RNA) where: Base-Base interactions energy: -301.122 where: short stacking energy: -175.503 Base-Backbone interact. energy: 0.499 local terms energy: -383.625734 where: bonds (distance) C4'-P energy: -140.323 bonds (distance) P-C4' energy: -118.865 flat angles C4'-P-C4' energy: -92.396 flat angles P-C4'-P energy: -69.707 tors. eta vs tors. theta energy: 37.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2725.309026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.309026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.309026 (E_RNA) where: Base-Base interactions energy: -1845.244 where: short stacking energy: -831.330 Base-Backbone interact. energy: 1.851 local terms energy: -881.916133 where: bonds (distance) C4'-P energy: -157.953 bonds (distance) P-C4' energy: -163.168 flat angles C4'-P-C4' energy: -182.497 flat angles P-C4'-P energy: -121.199 tors. eta vs tors. theta energy: -257.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2625.449180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.449180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.449180 (E_RNA) where: Base-Base interactions energy: -1790.403 where: short stacking energy: -795.943 Base-Backbone interact. energy: -3.139 local terms energy: -831.907011 where: bonds (distance) C4'-P energy: -147.320 bonds (distance) P-C4' energy: -159.266 flat angles C4'-P-C4' energy: -183.338 flat angles P-C4'-P energy: -117.689 tors. eta vs tors. theta energy: -224.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2492.996463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.996463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.996463 (E_RNA) where: Base-Base interactions energy: -1696.359 where: short stacking energy: -724.651 Base-Backbone interact. energy: -3.914 local terms energy: -792.723086 where: bonds (distance) C4'-P energy: -149.056 bonds (distance) P-C4' energy: -155.664 flat angles C4'-P-C4' energy: -168.847 flat angles P-C4'-P energy: -118.665 tors. eta vs tors. theta energy: -200.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2363.235322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.235322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.235322 (E_RNA) where: Base-Base interactions energy: -1609.713 where: short stacking energy: -708.629 Base-Backbone interact. energy: 2.451 local terms energy: -755.973705 where: bonds (distance) C4'-P energy: -135.926 bonds (distance) P-C4' energy: -155.902 flat angles C4'-P-C4' energy: -173.934 flat angles P-C4'-P energy: -99.069 tors. eta vs tors. theta energy: -191.143 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: 407 Temperature: 1.100000 Total energy: -2234.803762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.803762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.803762 (E_RNA) where: Base-Base interactions energy: -1527.316 where: short stacking energy: -668.272 Base-Backbone interact. energy: -4.999 local terms energy: -702.489529 where: bonds (distance) C4'-P energy: -128.676 bonds (distance) P-C4' energy: -136.960 flat angles C4'-P-C4' energy: -162.996 flat angles P-C4'-P energy: -99.864 tors. eta vs tors. theta energy: -173.994 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: 407 Temperature: 1.150000 Total energy: -1891.169811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.169811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.169811 (E_RNA) where: Base-Base interactions energy: -1201.385 where: short stacking energy: -531.681 Base-Backbone interact. energy: -2.856 local terms energy: -686.928464 where: bonds (distance) C4'-P energy: -147.880 bonds (distance) P-C4' energy: -142.271 flat angles C4'-P-C4' energy: -167.913 flat angles P-C4'-P energy: -104.173 tors. eta vs tors. theta energy: -124.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1673.660917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.660917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.660917 (E_RNA) where: Base-Base interactions energy: -1065.449 where: short stacking energy: -500.053 Base-Backbone interact. energy: -1.514 local terms energy: -606.697855 where: bonds (distance) C4'-P energy: -135.855 bonds (distance) P-C4' energy: -133.938 flat angles C4'-P-C4' energy: -143.145 flat angles P-C4'-P energy: -85.605 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: 8, replica: 8 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1296.270583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.270583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.270583 (E_RNA) where: Base-Base interactions energy: -751.286 where: short stacking energy: -378.543 Base-Backbone interact. energy: 2.569 local terms energy: -547.553545 where: bonds (distance) C4'-P energy: -138.017 bonds (distance) P-C4' energy: -125.085 flat angles C4'-P-C4' energy: -139.643 flat angles P-C4'-P energy: -95.720 tors. eta vs tors. theta energy: -49.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -878.445881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.445881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.445881 (E_RNA) where: Base-Base interactions energy: -401.898 where: short stacking energy: -232.467 Base-Backbone interact. energy: 1.722 local terms energy: -478.270287 where: bonds (distance) C4'-P energy: -142.476 bonds (distance) P-C4' energy: -138.751 flat angles C4'-P-C4' energy: -127.885 flat angles P-C4'-P energy: -87.489 tors. eta vs tors. theta energy: 18.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -636.905005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.905005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.905005 (E_RNA) where: Base-Base interactions energy: -242.281 where: short stacking energy: -178.736 Base-Backbone interact. energy: -0.639 local terms energy: -393.984513 where: bonds (distance) C4'-P energy: -107.278 bonds (distance) P-C4' energy: -147.611 flat angles C4'-P-C4' energy: -111.282 flat angles P-C4'-P energy: -67.249 tors. eta vs tors. theta energy: 39.437 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: 1 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2708.740925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.740925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.740925 (E_RNA) where: Base-Base interactions energy: -1845.645 where: short stacking energy: -812.334 Base-Backbone interact. energy: -0.053 local terms energy: -863.043092 where: bonds (distance) C4'-P energy: -153.678 bonds (distance) P-C4' energy: -154.549 flat angles C4'-P-C4' energy: -192.594 flat angles P-C4'-P energy: -125.884 tors. eta vs tors. theta energy: -236.338 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: 2 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2619.518391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.518391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.518391 (E_RNA) where: Base-Base interactions energy: -1753.530 where: short stacking energy: -788.219 Base-Backbone interact. energy: -2.160 local terms energy: -863.828638 where: bonds (distance) C4'-P energy: -158.976 bonds (distance) P-C4' energy: -167.887 flat angles C4'-P-C4' energy: -194.507 flat angles P-C4'-P energy: -118.368 tors. eta vs tors. theta energy: -224.091 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: 3 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2495.814814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.814814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.814814 (E_RNA) where: Base-Base interactions energy: -1712.152 where: short stacking energy: -725.880 Base-Backbone interact. energy: -3.252 local terms energy: -780.410106 where: bonds (distance) C4'-P energy: -152.418 bonds (distance) P-C4' energy: -142.952 flat angles C4'-P-C4' energy: -173.241 flat angles P-C4'-P energy: -115.526 tors. eta vs tors. theta energy: -196.273 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: 4, replica: 9 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2409.207516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.207516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.207516 (E_RNA) where: Base-Base interactions energy: -1625.372 where: short stacking energy: -703.917 Base-Backbone interact. energy: -4.772 local terms energy: -779.063354 where: bonds (distance) C4'-P energy: -146.429 bonds (distance) P-C4' energy: -146.491 flat angles C4'-P-C4' energy: -173.456 flat angles P-C4'-P energy: -123.425 tors. eta vs tors. theta energy: -189.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2267.777823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.777823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.777823 (E_RNA) where: Base-Base interactions energy: -1555.499 where: short stacking energy: -648.806 Base-Backbone interact. energy: -3.512 local terms energy: -708.766864 where: bonds (distance) C4'-P energy: -131.575 bonds (distance) P-C4' energy: -148.640 flat angles C4'-P-C4' energy: -155.509 flat angles P-C4'-P energy: -95.148 tors. eta vs tors. theta energy: -177.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1849.945420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.945420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.945420 (E_RNA) where: Base-Base interactions energy: -1164.533 where: short stacking energy: -529.010 Base-Backbone interact. energy: -4.209 local terms energy: -681.204190 where: bonds (distance) C4'-P energy: -157.292 bonds (distance) P-C4' energy: -152.632 flat angles C4'-P-C4' energy: -154.524 flat angles P-C4'-P energy: -99.393 tors. eta vs tors. theta energy: -117.364 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: 7, replica: 7 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1635.532306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.532306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.532306 (E_RNA) where: Base-Base interactions energy: -1018.552 where: short stacking energy: -469.679 Base-Backbone interact. energy: -3.811 local terms energy: -613.168933 where: bonds (distance) C4'-P energy: -135.555 bonds (distance) P-C4' energy: -153.373 flat angles C4'-P-C4' energy: -157.884 flat angles P-C4'-P energy: -76.709 tors. eta vs tors. theta energy: -89.648 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: 8 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1262.378428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.378428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.378428 (E_RNA) where: Base-Base interactions energy: -728.449 where: short stacking energy: -355.904 Base-Backbone interact. energy: -2.087 local terms energy: -531.842883 where: bonds (distance) C4'-P energy: -134.457 bonds (distance) P-C4' energy: -140.392 flat angles C4'-P-C4' energy: -134.343 flat angles P-C4'-P energy: -85.187 tors. eta vs tors. theta energy: -37.464 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: 6 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -884.848644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.848644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.848644 (E_RNA) where: Base-Base interactions energy: -441.009 where: short stacking energy: -249.309 Base-Backbone interact. energy: 2.884 local terms energy: -446.723398 where: bonds (distance) C4'-P energy: -131.847 bonds (distance) P-C4' energy: -150.015 flat angles C4'-P-C4' energy: -90.760 flat angles P-C4'-P energy: -90.782 tors. eta vs tors. theta energy: 16.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -626.022625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.022625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.022625 (E_RNA) where: Base-Base interactions energy: -210.488 where: short stacking energy: -164.814 Base-Backbone interact. energy: -1.541 local terms energy: -413.993747 where: bonds (distance) C4'-P energy: -138.349 bonds (distance) P-C4' energy: -135.772 flat angles C4'-P-C4' energy: -95.742 flat angles P-C4'-P energy: -72.398 tors. eta vs tors. theta energy: 28.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2697.991532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.991532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.991532 (E_RNA) where: Base-Base interactions energy: -1804.629 where: short stacking energy: -844.021 Base-Backbone interact. energy: -2.478 local terms energy: -890.884953 where: bonds (distance) C4'-P energy: -173.637 bonds (distance) P-C4' energy: -164.595 flat angles C4'-P-C4' energy: -182.548 flat angles P-C4'-P energy: -131.209 tors. eta vs tors. theta energy: -238.896 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: 2 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2577.690498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.690498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.690498 (E_RNA) where: Base-Base interactions energy: -1775.925 where: short stacking energy: -779.971 Base-Backbone interact. energy: 0.409 local terms energy: -802.175009 where: bonds (distance) C4'-P energy: -155.979 bonds (distance) P-C4' energy: -161.513 flat angles C4'-P-C4' energy: -179.077 flat angles P-C4'-P energy: -97.495 tors. eta vs tors. theta energy: -208.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2611.109914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.109914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.109914 (E_RNA) where: Base-Base interactions energy: -1801.155 where: short stacking energy: -783.727 Base-Backbone interact. energy: -3.099 local terms energy: -806.855750 where: bonds (distance) C4'-P energy: -135.184 bonds (distance) P-C4' energy: -159.232 flat angles C4'-P-C4' energy: -179.513 flat angles P-C4'-P energy: -106.173 tors. eta vs tors. theta energy: -226.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2336.343244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.343244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.343244 (E_RNA) where: Base-Base interactions energy: -1575.330 where: short stacking energy: -694.345 Base-Backbone interact. energy: -4.639 local terms energy: -756.374216 where: bonds (distance) C4'-P energy: -146.509 bonds (distance) P-C4' energy: -146.241 flat angles C4'-P-C4' energy: -163.334 flat angles P-C4'-P energy: -109.741 tors. eta vs tors. theta energy: -190.549 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: 4 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2332.916112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.916112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.916112 (E_RNA) where: Base-Base interactions energy: -1562.104 where: short stacking energy: -670.571 Base-Backbone interact. energy: -0.229 local terms energy: -770.583568 where: bonds (distance) C4'-P energy: -137.884 bonds (distance) P-C4' energy: -162.349 flat angles C4'-P-C4' energy: -166.958 flat angles P-C4'-P energy: -105.347 tors. eta vs tors. theta energy: -198.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1851.901550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.901550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.901550 (E_RNA) where: Base-Base interactions energy: -1199.642 where: short stacking energy: -513.093 Base-Backbone interact. energy: 1.215 local terms energy: -653.474760 where: bonds (distance) C4'-P energy: -144.633 bonds (distance) P-C4' energy: -169.630 flat angles C4'-P-C4' energy: -153.305 flat angles P-C4'-P energy: -79.639 tors. eta vs tors. theta energy: -106.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1683.798462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.798462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.798462 (E_RNA) where: Base-Base interactions energy: -1047.859 where: short stacking energy: -494.301 Base-Backbone interact. energy: -0.158 local terms energy: -635.781655 where: bonds (distance) C4'-P energy: -139.863 bonds (distance) P-C4' energy: -143.335 flat angles C4'-P-C4' energy: -147.483 flat angles P-C4'-P energy: -81.459 tors. eta vs tors. theta energy: -123.641 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: 8 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1276.290972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.290972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.290972 (E_RNA) where: Base-Base interactions energy: -738.249 where: short stacking energy: -348.919 Base-Backbone interact. energy: 4.808 local terms energy: -542.850685 where: bonds (distance) C4'-P energy: -143.403 bonds (distance) P-C4' energy: -124.856 flat angles C4'-P-C4' energy: -134.790 flat angles P-C4'-P energy: -78.490 tors. eta vs tors. theta energy: -61.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -885.868035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.868035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.868035 (E_RNA) where: Base-Base interactions energy: -419.895 where: short stacking energy: -245.132 Base-Backbone interact. energy: 0.328 local terms energy: -466.301769 where: bonds (distance) C4'-P energy: -151.701 bonds (distance) P-C4' energy: -130.950 flat angles C4'-P-C4' energy: -116.026 flat angles P-C4'-P energy: -71.455 tors. eta vs tors. theta energy: 3.831 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: 10 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -627.988757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.988757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.988757 (E_RNA) where: Base-Base interactions energy: -227.358 where: short stacking energy: -177.438 Base-Backbone interact. energy: 1.770 local terms energy: -402.400393 where: bonds (distance) C4'-P energy: -119.034 bonds (distance) P-C4' energy: -147.409 flat angles C4'-P-C4' energy: -108.198 flat angles P-C4'-P energy: -66.278 tors. eta vs tors. theta energy: 38.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2695.722372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.722372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.722372 (E_RNA) where: Base-Base interactions energy: -1819.960 where: short stacking energy: -815.487 Base-Backbone interact. energy: -1.948 local terms energy: -873.814619 where: bonds (distance) C4'-P energy: -151.801 bonds (distance) P-C4' energy: -177.006 flat angles C4'-P-C4' energy: -181.045 flat angles P-C4'-P energy: -125.537 tors. eta vs tors. theta energy: -238.426 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: 2 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2595.612762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.612762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.612762 (E_RNA) where: Base-Base interactions energy: -1782.917 where: short stacking energy: -775.060 Base-Backbone interact. energy: -3.017 local terms energy: -809.678485 where: bonds (distance) C4'-P energy: -147.635 bonds (distance) P-C4' energy: -158.029 flat angles C4'-P-C4' energy: -174.809 flat angles P-C4'-P energy: -127.821 tors. eta vs tors. theta energy: -201.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2610.394231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.394231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.394231 (E_RNA) where: Base-Base interactions energy: -1790.390 where: short stacking energy: -749.762 Base-Backbone interact. energy: 7.318 local terms energy: -827.322757 where: bonds (distance) C4'-P energy: -174.917 bonds (distance) P-C4' energy: -167.159 flat angles C4'-P-C4' energy: -169.015 flat angles P-C4'-P energy: -107.580 tors. eta vs tors. theta energy: -208.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2379.319049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.319049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.319049 (E_RNA) where: Base-Base interactions energy: -1662.479 where: short stacking energy: -712.430 Base-Backbone interact. energy: -5.297 local terms energy: -711.542882 where: bonds (distance) C4'-P energy: -136.884 bonds (distance) P-C4' energy: -128.969 flat angles C4'-P-C4' energy: -160.697 flat angles P-C4'-P energy: -93.913 tors. eta vs tors. theta energy: -191.080 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: 4 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2223.201713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.201713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.201713 (E_RNA) where: Base-Base interactions energy: -1516.104 where: short stacking energy: -644.061 Base-Backbone interact. energy: -5.019 local terms energy: -702.079035 where: bonds (distance) C4'-P energy: -110.245 bonds (distance) P-C4' energy: -150.287 flat angles C4'-P-C4' energy: -168.964 flat angles P-C4'-P energy: -102.396 tors. eta vs tors. theta energy: -170.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1896.247381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.247381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.247381 (E_RNA) where: Base-Base interactions energy: -1245.920 where: short stacking energy: -540.881 Base-Backbone interact. energy: -3.950 local terms energy: -646.376979 where: bonds (distance) C4'-P energy: -149.790 bonds (distance) P-C4' energy: -137.711 flat angles C4'-P-C4' energy: -145.996 flat angles P-C4'-P energy: -93.187 tors. eta vs tors. theta energy: -119.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1721.806027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.806027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.806027 (E_RNA) where: Base-Base interactions energy: -1120.450 where: short stacking energy: -531.645 Base-Backbone interact. energy: -0.168 local terms energy: -601.187439 where: bonds (distance) C4'-P energy: -121.078 bonds (distance) P-C4' energy: -147.995 flat angles C4'-P-C4' energy: -140.359 flat angles P-C4'-P energy: -76.675 tors. eta vs tors. theta energy: -115.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1242.054227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.054227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.054227 (E_RNA) where: Base-Base interactions energy: -718.570 where: short stacking energy: -369.587 Base-Backbone interact. energy: 3.488 local terms energy: -526.973136 where: bonds (distance) C4'-P energy: -120.099 bonds (distance) P-C4' energy: -159.442 flat angles C4'-P-C4' energy: -109.808 flat angles P-C4'-P energy: -71.453 tors. eta vs tors. theta energy: -66.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -841.934330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.934330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.934330 (E_RNA) where: Base-Base interactions energy: -421.728 where: short stacking energy: -224.146 Base-Backbone interact. energy: 2.182 local terms energy: -422.387932 where: bonds (distance) C4'-P energy: -119.428 bonds (distance) P-C4' energy: -129.092 flat angles C4'-P-C4' energy: -108.144 flat angles P-C4'-P energy: -77.898 tors. eta vs tors. theta energy: 12.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -614.641799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.641799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.641799 (E_RNA) where: Base-Base interactions energy: -229.478 where: short stacking energy: -160.532 Base-Backbone interact. energy: 0.108 local terms energy: -385.271363 where: bonds (distance) C4'-P energy: -121.371 bonds (distance) P-C4' energy: -125.371 flat angles C4'-P-C4' energy: -126.317 flat angles P-C4'-P energy: -50.945 tors. eta vs tors. theta energy: 38.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2706.021160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.021160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.021160 (E_RNA) where: Base-Base interactions energy: -1837.653 where: short stacking energy: -850.044 Base-Backbone interact. energy: -1.131 local terms energy: -867.237365 where: bonds (distance) C4'-P energy: -148.071 bonds (distance) P-C4' energy: -165.741 flat angles C4'-P-C4' energy: -182.684 flat angles P-C4'-P energy: -129.967 tors. eta vs tors. theta energy: -240.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2589.909873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.909873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.909873 (E_RNA) where: Base-Base interactions energy: -1768.675 where: short stacking energy: -780.792 Base-Backbone interact. energy: -1.551 local terms energy: -819.684038 where: bonds (distance) C4'-P energy: -160.470 bonds (distance) P-C4' energy: -149.342 flat angles C4'-P-C4' energy: -174.342 flat angles P-C4'-P energy: -129.451 tors. eta vs tors. theta energy: -206.079 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: 3, replica: 3 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2576.318232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.318232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.318232 (E_RNA) where: Base-Base interactions energy: -1775.641 where: short stacking energy: -772.388 Base-Backbone interact. energy: -2.098 local terms energy: -798.579239 where: bonds (distance) C4'-P energy: -152.978 bonds (distance) P-C4' energy: -157.035 flat angles C4'-P-C4' energy: -166.041 flat angles P-C4'-P energy: -106.757 tors. eta vs tors. theta energy: -215.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2418.861979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.861979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.861979 (E_RNA) where: Base-Base interactions energy: -1661.873 where: short stacking energy: -689.590 Base-Backbone interact. energy: 0.169 local terms energy: -757.157485 where: bonds (distance) C4'-P energy: -135.860 bonds (distance) P-C4' energy: -151.207 flat angles C4'-P-C4' energy: -169.761 flat angles P-C4'-P energy: -104.356 tors. eta vs tors. theta energy: -195.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2239.674775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.674775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.674775 (E_RNA) where: Base-Base interactions energy: -1511.150 where: short stacking energy: -665.538 Base-Backbone interact. energy: -6.111 local terms energy: -722.414211 where: bonds (distance) C4'-P energy: -146.769 bonds (distance) P-C4' energy: -140.109 flat angles C4'-P-C4' energy: -155.754 flat angles P-C4'-P energy: -106.644 tors. eta vs tors. theta energy: -173.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1828.103156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.103156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.103156 (E_RNA) where: Base-Base interactions energy: -1184.560 where: short stacking energy: -538.533 Base-Backbone interact. energy: -2.056 local terms energy: -641.486736 where: bonds (distance) C4'-P energy: -139.249 bonds (distance) P-C4' energy: -148.465 flat angles C4'-P-C4' energy: -136.044 flat angles P-C4'-P energy: -92.473 tors. eta vs tors. theta energy: -125.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1679.625057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.625057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.625057 (E_RNA) where: Base-Base interactions energy: -1053.725 where: short stacking energy: -500.504 Base-Backbone interact. energy: -1.602 local terms energy: -624.297680 where: bonds (distance) C4'-P energy: -128.688 bonds (distance) P-C4' energy: -153.011 flat angles C4'-P-C4' energy: -152.275 flat angles P-C4'-P energy: -83.441 tors. eta vs tors. theta energy: -106.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1275.659640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.659640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.659640 (E_RNA) where: Base-Base interactions energy: -734.998 where: short stacking energy: -382.386 Base-Backbone interact. energy: -0.102 local terms energy: -540.559756 where: bonds (distance) C4'-P energy: -132.035 bonds (distance) P-C4' energy: -122.144 flat angles C4'-P-C4' energy: -125.694 flat angles P-C4'-P energy: -93.120 tors. eta vs tors. theta energy: -67.566 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: 6 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -843.875968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.875968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.875968 (E_RNA) where: Base-Base interactions energy: -368.491 where: short stacking energy: -238.502 Base-Backbone interact. energy: 1.191 local terms energy: -476.576105 where: bonds (distance) C4'-P energy: -122.663 bonds (distance) P-C4' energy: -143.086 flat angles C4'-P-C4' energy: -143.081 flat angles P-C4'-P energy: -65.361 tors. eta vs tors. theta energy: -2.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -597.060724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.060724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.060724 (E_RNA) where: Base-Base interactions energy: -205.025 where: short stacking energy: -177.030 Base-Backbone interact. energy: 9.971 local terms energy: -402.006415 where: bonds (distance) C4'-P energy: -131.421 bonds (distance) P-C4' energy: -133.262 flat angles C4'-P-C4' energy: -106.689 flat angles P-C4'-P energy: -51.728 tors. eta vs tors. theta energy: 21.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2702.347470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.347470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.347470 (E_RNA) where: Base-Base interactions energy: -1836.181 where: short stacking energy: -842.273 Base-Backbone interact. energy: 0.983 local terms energy: -867.149234 where: bonds (distance) C4'-P energy: -164.007 bonds (distance) P-C4' energy: -150.912 flat angles C4'-P-C4' energy: -173.376 flat angles P-C4'-P energy: -128.949 tors. eta vs tors. theta energy: -249.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2589.314989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.314989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.314989 (E_RNA) where: Base-Base interactions energy: -1762.044 where: short stacking energy: -751.179 Base-Backbone interact. energy: -3.213 local terms energy: -824.058290 where: bonds (distance) C4'-P energy: -161.318 bonds (distance) P-C4' energy: -171.319 flat angles C4'-P-C4' energy: -172.555 flat angles P-C4'-P energy: -123.271 tors. eta vs tors. theta energy: -195.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2554.638946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.638946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.638946 (E_RNA) where: Base-Base interactions energy: -1735.899 where: short stacking energy: -760.179 Base-Backbone interact. energy: -2.628 local terms energy: -816.112278 where: bonds (distance) C4'-P energy: -153.575 bonds (distance) P-C4' energy: -156.379 flat angles C4'-P-C4' energy: -175.286 flat angles P-C4'-P energy: -110.435 tors. eta vs tors. theta energy: -220.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2403.029024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.029024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.029024 (E_RNA) where: Base-Base interactions energy: -1619.427 where: short stacking energy: -682.947 Base-Backbone interact. energy: -3.027 local terms energy: -780.574179 where: bonds (distance) C4'-P energy: -151.475 bonds (distance) P-C4' energy: -164.177 flat angles C4'-P-C4' energy: -172.389 flat angles P-C4'-P energy: -109.820 tors. eta vs tors. theta energy: -182.712 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: 4 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2222.387952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.387952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.387952 (E_RNA) where: Base-Base interactions energy: -1495.918 where: short stacking energy: -666.504 Base-Backbone interact. energy: -3.108 local terms energy: -723.361831 where: bonds (distance) C4'-P energy: -139.311 bonds (distance) P-C4' energy: -138.999 flat angles C4'-P-C4' energy: -173.134 flat angles P-C4'-P energy: -96.910 tors. eta vs tors. theta energy: -175.007 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: 5 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1813.377034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.377034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.377034 (E_RNA) where: Base-Base interactions energy: -1188.666 where: short stacking energy: -537.858 Base-Backbone interact. energy: -1.473 local terms energy: -623.238658 where: bonds (distance) C4'-P energy: -125.525 bonds (distance) P-C4' energy: -161.913 flat angles C4'-P-C4' energy: -139.194 flat angles P-C4'-P energy: -96.449 tors. eta vs tors. theta energy: -100.158 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: 412 Temperature: 1.200000 Total energy: -1606.288508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.288508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.288508 (E_RNA) where: Base-Base interactions energy: -1018.073 where: short stacking energy: -475.715 Base-Backbone interact. energy: -2.155 local terms energy: -586.060602 where: bonds (distance) C4'-P energy: -144.881 bonds (distance) P-C4' energy: -123.109 flat angles C4'-P-C4' energy: -137.385 flat angles P-C4'-P energy: -103.482 tors. eta vs tors. theta energy: -77.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1315.179857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.179857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.179857 (E_RNA) where: Base-Base interactions energy: -765.103 where: short stacking energy: -380.002 Base-Backbone interact. energy: -2.533 local terms energy: -547.543920 where: bonds (distance) C4'-P energy: -145.602 bonds (distance) P-C4' energy: -132.330 flat angles C4'-P-C4' energy: -130.256 flat angles P-C4'-P energy: -74.716 tors. eta vs tors. theta energy: -64.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -818.878172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.878172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.878172 (E_RNA) where: Base-Base interactions energy: -360.455 where: short stacking energy: -218.627 Base-Backbone interact. energy: -0.647 local terms energy: -457.776066 where: bonds (distance) C4'-P energy: -132.568 bonds (distance) P-C4' energy: -127.987 flat angles C4'-P-C4' energy: -123.046 flat angles P-C4'-P energy: -82.035 tors. eta vs tors. theta energy: 7.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -650.498094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.498094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.498094 (E_RNA) where: Base-Base interactions energy: -248.685 where: short stacking energy: -190.187 Base-Backbone interact. energy: 0.488 local terms energy: -402.300643 where: bonds (distance) C4'-P energy: -123.258 bonds (distance) P-C4' energy: -131.089 flat angles C4'-P-C4' energy: -108.041 flat angles P-C4'-P energy: -52.321 tors. eta vs tors. theta energy: 12.409 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: 1 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2688.746264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.746264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.746264 (E_RNA) where: Base-Base interactions energy: -1815.238 where: short stacking energy: -820.996 Base-Backbone interact. energy: -2.124 local terms energy: -871.385116 where: bonds (distance) C4'-P energy: -155.845 bonds (distance) P-C4' energy: -174.728 flat angles C4'-P-C4' energy: -181.194 flat angles P-C4'-P energy: -124.181 tors. eta vs tors. theta energy: -235.436 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: 2, replica: 2 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2621.102130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.102130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.102130 (E_RNA) where: Base-Base interactions energy: -1782.987 where: short stacking energy: -777.820 Base-Backbone interact. energy: -5.186 local terms energy: -832.928945 where: bonds (distance) C4'-P energy: -146.861 bonds (distance) P-C4' energy: -167.423 flat angles C4'-P-C4' energy: -187.958 flat angles P-C4'-P energy: -121.933 tors. eta vs tors. theta energy: -208.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2525.278659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.278659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.278659 (E_RNA) where: Base-Base interactions energy: -1705.311 where: short stacking energy: -747.735 Base-Backbone interact. energy: 1.262 local terms energy: -821.229993 where: bonds (distance) C4'-P energy: -164.157 bonds (distance) P-C4' energy: -152.403 flat angles C4'-P-C4' energy: -178.604 flat angles P-C4'-P energy: -114.597 tors. eta vs tors. theta energy: -211.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2411.389063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.389063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.389063 (E_RNA) where: Base-Base interactions energy: -1631.796 where: short stacking energy: -709.818 Base-Backbone interact. energy: -3.309 local terms energy: -776.283466 where: bonds (distance) C4'-P energy: -155.289 bonds (distance) P-C4' energy: -168.091 flat angles C4'-P-C4' energy: -172.697 flat angles P-C4'-P energy: -93.835 tors. eta vs tors. theta energy: -186.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2193.664380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.664380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.664380 (E_RNA) where: Base-Base interactions energy: -1466.470 where: short stacking energy: -620.980 Base-Backbone interact. energy: -2.686 local terms energy: -724.508445 where: bonds (distance) C4'-P energy: -145.331 bonds (distance) P-C4' energy: -132.982 flat angles C4'-P-C4' energy: -174.442 flat angles P-C4'-P energy: -114.124 tors. eta vs tors. theta energy: -157.629 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: 6, replica: 5 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1825.947737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.947737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.947737 (E_RNA) where: Base-Base interactions energy: -1168.039 where: short stacking energy: -533.335 Base-Backbone interact. energy: 2.927 local terms energy: -660.834890 where: bonds (distance) C4'-P energy: -151.812 bonds (distance) P-C4' energy: -158.764 flat angles C4'-P-C4' energy: -152.012 flat angles P-C4'-P energy: -101.288 tors. eta vs tors. theta energy: -96.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1695.180267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.180267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.180267 (E_RNA) where: Base-Base interactions energy: -1025.530 where: short stacking energy: -493.367 Base-Backbone interact. energy: 0.014 local terms energy: -669.664355 where: bonds (distance) C4'-P energy: -142.931 bonds (distance) P-C4' energy: -145.059 flat angles C4'-P-C4' energy: -153.311 flat angles P-C4'-P energy: -92.290 tors. eta vs tors. theta energy: -136.074 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: 8, replica: 8 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1275.161410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.161410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.161410 (E_RNA) where: Base-Base interactions energy: -750.583 where: short stacking energy: -361.926 Base-Backbone interact. energy: 0.105 local terms energy: -524.684309 where: bonds (distance) C4'-P energy: -125.856 bonds (distance) P-C4' energy: -132.330 flat angles C4'-P-C4' energy: -138.824 flat angles P-C4'-P energy: -80.820 tors. eta vs tors. theta energy: -46.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -754.236861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.236861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.236861 (E_RNA) where: Base-Base interactions energy: -327.753 where: short stacking energy: -190.115 Base-Backbone interact. energy: -2.884 local terms energy: -423.600189 where: bonds (distance) C4'-P energy: -139.953 bonds (distance) P-C4' energy: -128.878 flat angles C4'-P-C4' energy: -113.990 flat angles P-C4'-P energy: -62.043 tors. eta vs tors. theta energy: 21.264 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: 10, replica: 10 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -611.657052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.657052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.657052 (E_RNA) where: Base-Base interactions energy: -233.776 where: short stacking energy: -193.305 Base-Backbone interact. energy: 2.847 local terms energy: -380.728201 where: bonds (distance) C4'-P energy: -98.615 bonds (distance) P-C4' energy: -130.129 flat angles C4'-P-C4' energy: -122.915 flat angles P-C4'-P energy: -57.334 tors. eta vs tors. theta energy: 28.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2701.492621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.492621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.492621 (E_RNA) where: Base-Base interactions energy: -1804.800 where: short stacking energy: -805.138 Base-Backbone interact. energy: -1.478 local terms energy: -895.214473 where: bonds (distance) C4'-P energy: -166.067 bonds (distance) P-C4' energy: -183.883 flat angles C4'-P-C4' energy: -189.810 flat angles P-C4'-P energy: -120.833 tors. eta vs tors. theta energy: -234.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2591.176459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.176459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.176459 (E_RNA) where: Base-Base interactions energy: -1750.464 where: short stacking energy: -794.683 Base-Backbone interact. energy: -0.400 local terms energy: -840.313047 where: bonds (distance) C4'-P energy: -166.175 bonds (distance) P-C4' energy: -165.751 flat angles C4'-P-C4' energy: -184.659 flat angles P-C4'-P energy: -114.265 tors. eta vs tors. theta energy: -209.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2489.330212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.330212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.330212 (E_RNA) where: Base-Base interactions energy: -1694.834 where: short stacking energy: -713.402 Base-Backbone interact. energy: -4.042 local terms energy: -790.453580 where: bonds (distance) C4'-P energy: -152.576 bonds (distance) P-C4' energy: -156.942 flat angles C4'-P-C4' energy: -167.778 flat angles P-C4'-P energy: -111.947 tors. eta vs tors. theta energy: -201.211 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: 9 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2339.689783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.689783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.689783 (E_RNA) where: Base-Base interactions energy: -1616.781 where: short stacking energy: -714.771 Base-Backbone interact. energy: -2.033 local terms energy: -720.875946 where: bonds (distance) C4'-P energy: -126.850 bonds (distance) P-C4' energy: -136.950 flat angles C4'-P-C4' energy: -177.966 flat angles P-C4'-P energy: -103.065 tors. eta vs tors. theta energy: -176.045 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: 414 Temperature: 1.100000 Total energy: -2222.350751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.350751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.350751 (E_RNA) where: Base-Base interactions energy: -1476.512 where: short stacking energy: -650.182 Base-Backbone interact. energy: 5.001 local terms energy: -750.839683 where: bonds (distance) C4'-P energy: -150.357 bonds (distance) P-C4' energy: -139.810 flat angles C4'-P-C4' energy: -161.832 flat angles P-C4'-P energy: -123.592 tors. eta vs tors. theta energy: -175.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1820.328036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.328036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.328036 (E_RNA) where: Base-Base interactions energy: -1194.457 where: short stacking energy: -532.521 Base-Backbone interact. energy: -1.978 local terms energy: -623.893303 where: bonds (distance) C4'-P energy: -124.285 bonds (distance) P-C4' energy: -136.214 flat angles C4'-P-C4' energy: -134.615 flat angles P-C4'-P energy: -111.367 tors. eta vs tors. theta energy: -117.413 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: 7 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1704.264546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.264546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.264546 (E_RNA) where: Base-Base interactions energy: -1090.011 where: short stacking energy: -494.745 Base-Backbone interact. energy: 1.389 local terms energy: -615.642425 where: bonds (distance) C4'-P energy: -137.661 bonds (distance) P-C4' energy: -138.196 flat angles C4'-P-C4' energy: -146.593 flat angles P-C4'-P energy: -88.255 tors. eta vs tors. theta energy: -104.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1264.922345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.922345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.922345 (E_RNA) where: Base-Base interactions energy: -738.071 where: short stacking energy: -350.661 Base-Backbone interact. energy: 8.544 local terms energy: -535.395166 where: bonds (distance) C4'-P energy: -114.339 bonds (distance) P-C4' energy: -158.343 flat angles C4'-P-C4' energy: -144.877 flat angles P-C4'-P energy: -73.390 tors. eta vs tors. theta energy: -44.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -721.149592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.149592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.149592 (E_RNA) where: Base-Base interactions energy: -265.730 where: short stacking energy: -173.883 Base-Backbone interact. energy: -1.772 local terms energy: -453.648277 where: bonds (distance) C4'-P energy: -138.687 bonds (distance) P-C4' energy: -125.402 flat angles C4'-P-C4' energy: -124.231 flat angles P-C4'-P energy: -70.517 tors. eta vs tors. theta energy: 5.189 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: 10 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -607.782074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.782074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.782074 (E_RNA) where: Base-Base interactions energy: -212.118 where: short stacking energy: -192.944 Base-Backbone interact. energy: 12.344 local terms energy: -408.008010 where: bonds (distance) C4'-P energy: -134.215 bonds (distance) P-C4' energy: -136.987 flat angles C4'-P-C4' energy: -107.922 flat angles P-C4'-P energy: -46.841 tors. eta vs tors. theta energy: 17.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -2721.781098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.781098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.781098 (E_RNA) where: Base-Base interactions energy: -1834.387 where: short stacking energy: -828.885 Base-Backbone interact. energy: -2.886 local terms energy: -884.507687 where: bonds (distance) C4'-P energy: -164.652 bonds (distance) P-C4' energy: -159.330 flat angles C4'-P-C4' energy: -187.114 flat angles P-C4'-P energy: -128.844 tors. eta vs tors. theta energy: -244.567 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: 2 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2611.479208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.479208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.479208 (E_RNA) where: Base-Base interactions energy: -1775.562 where: short stacking energy: -776.140 Base-Backbone interact. energy: -2.543 local terms energy: -833.374590 where: bonds (distance) C4'-P energy: -144.557 bonds (distance) P-C4' energy: -159.627 flat angles C4'-P-C4' energy: -183.889 flat angles P-C4'-P energy: -131.149 tors. eta vs tors. theta energy: -214.152 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: 3, replica: 3 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2590.590140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.590140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.590140 (E_RNA) where: Base-Base interactions energy: -1778.667 where: short stacking energy: -775.432 Base-Backbone interact. energy: -2.526 local terms energy: -809.397337 where: bonds (distance) C4'-P energy: -146.655 bonds (distance) P-C4' energy: -142.736 flat angles C4'-P-C4' energy: -181.332 flat angles P-C4'-P energy: -114.644 tors. eta vs tors. theta energy: -224.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2378.015779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.015779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.015779 (E_RNA) where: Base-Base interactions energy: -1617.858 where: short stacking energy: -705.232 Base-Backbone interact. energy: -4.791 local terms energy: -755.367356 where: bonds (distance) C4'-P energy: -136.198 bonds (distance) P-C4' energy: -146.131 flat angles C4'-P-C4' energy: -163.962 flat angles P-C4'-P energy: -123.317 tors. eta vs tors. theta energy: -185.759 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: 5, replica: 4 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2151.291602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.291602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.291602 (E_RNA) where: Base-Base interactions energy: -1434.369 where: short stacking energy: -630.875 Base-Backbone interact. energy: -3.787 local terms energy: -713.135248 where: bonds (distance) C4'-P energy: -138.418 bonds (distance) P-C4' energy: -137.948 flat angles C4'-P-C4' energy: -167.185 flat angles P-C4'-P energy: -100.219 tors. eta vs tors. theta energy: -169.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1810.812827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.812827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.812827 (E_RNA) where: Base-Base interactions energy: -1160.094 where: short stacking energy: -523.130 Base-Backbone interact. energy: 0.418 local terms energy: -651.136825 where: bonds (distance) C4'-P energy: -155.626 bonds (distance) P-C4' energy: -147.784 flat angles C4'-P-C4' energy: -145.019 flat angles P-C4'-P energy: -98.510 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: 7 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1701.584213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.584213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.584213 (E_RNA) where: Base-Base interactions energy: -1071.444 where: short stacking energy: -466.126 Base-Backbone interact. energy: -2.407 local terms energy: -627.734009 where: bonds (distance) C4'-P energy: -141.894 bonds (distance) P-C4' energy: -150.754 flat angles C4'-P-C4' energy: -143.721 flat angles P-C4'-P energy: -84.197 tors. eta vs tors. theta energy: -107.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1260.059813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.059813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.059813 (E_RNA) where: Base-Base interactions energy: -720.536 where: short stacking energy: -354.915 Base-Backbone interact. energy: 1.627 local terms energy: -541.150780 where: bonds (distance) C4'-P energy: -146.363 bonds (distance) P-C4' energy: -137.267 flat angles C4'-P-C4' energy: -136.218 flat angles P-C4'-P energy: -84.136 tors. eta vs tors. theta energy: -37.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -765.790268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.790268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.790268 (E_RNA) where: Base-Base interactions energy: -308.061 where: short stacking energy: -217.323 Base-Backbone interact. energy: -2.019 local terms energy: -455.710138 where: bonds (distance) C4'-P energy: -122.897 bonds (distance) P-C4' energy: -137.332 flat angles C4'-P-C4' energy: -110.773 flat angles P-C4'-P energy: -84.432 tors. eta vs tors. theta energy: -0.276 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: 10 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -652.031951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.031951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.031951 (E_RNA) where: Base-Base interactions energy: -247.566 where: short stacking energy: -188.807 Base-Backbone interact. energy: -0.547 local terms energy: -403.919096 where: bonds (distance) C4'-P energy: -146.185 bonds (distance) P-C4' energy: -155.749 flat angles C4'-P-C4' energy: -79.030 flat angles P-C4'-P energy: -65.685 tors. eta vs tors. theta energy: 42.730 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: 1, replica: 2 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2687.621243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.621243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.621243 (E_RNA) where: Base-Base interactions energy: -1844.080 where: short stacking energy: -823.363 Base-Backbone interact. energy: -3.717 local terms energy: -839.824856 where: bonds (distance) C4'-P energy: -149.008 bonds (distance) P-C4' energy: -173.713 flat angles C4'-P-C4' energy: -180.123 flat angles P-C4'-P energy: -122.935 tors. eta vs tors. theta energy: -214.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2637.279323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.279323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.279323 (E_RNA) where: Base-Base interactions energy: -1786.573 where: short stacking energy: -820.757 Base-Backbone interact. energy: 0.424 local terms energy: -851.130450 where: bonds (distance) C4'-P energy: -156.109 bonds (distance) P-C4' energy: -161.087 flat angles C4'-P-C4' energy: -175.236 flat angles P-C4'-P energy: -125.506 tors. eta vs tors. theta energy: -233.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2579.505609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.505609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.505609 (E_RNA) where: Base-Base interactions energy: -1771.422 where: short stacking energy: -750.482 Base-Backbone interact. energy: -6.100 local terms energy: -801.983116 where: bonds (distance) C4'-P energy: -144.073 bonds (distance) P-C4' energy: -163.858 flat angles C4'-P-C4' energy: -165.611 flat angles P-C4'-P energy: -110.663 tors. eta vs tors. theta energy: -217.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2380.250612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.250612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.250612 (E_RNA) where: Base-Base interactions energy: -1637.135 where: short stacking energy: -729.728 Base-Backbone interact. energy: -0.109 local terms energy: -743.006553 where: bonds (distance) C4'-P energy: -139.620 bonds (distance) P-C4' energy: -146.921 flat angles C4'-P-C4' energy: -155.175 flat angles P-C4'-P energy: -111.316 tors. eta vs tors. theta energy: -189.975 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: 5, replica: 4 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2225.486876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.486876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.486876 (E_RNA) where: Base-Base interactions energy: -1492.427 where: short stacking energy: -630.057 Base-Backbone interact. energy: -4.031 local terms energy: -729.029152 where: bonds (distance) C4'-P energy: -142.963 bonds (distance) P-C4' energy: -154.916 flat angles C4'-P-C4' energy: -154.677 flat angles P-C4'-P energy: -101.670 tors. eta vs tors. theta energy: -174.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1819.647843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.647843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.647843 (E_RNA) where: Base-Base interactions energy: -1156.929 where: short stacking energy: -522.932 Base-Backbone interact. energy: 2.440 local terms energy: -665.158720 where: bonds (distance) C4'-P energy: -147.226 bonds (distance) P-C4' energy: -148.557 flat angles C4'-P-C4' energy: -151.621 flat angles P-C4'-P energy: -104.457 tors. eta vs tors. theta energy: -113.298 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: 416 Temperature: 1.200000 Total energy: -1730.071910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.071910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.071910 (E_RNA) where: Base-Base interactions energy: -1098.194 where: short stacking energy: -493.257 Base-Backbone interact. energy: -2.628 local terms energy: -629.249058 where: bonds (distance) C4'-P energy: -128.509 bonds (distance) P-C4' energy: -146.062 flat angles C4'-P-C4' energy: -151.222 flat angles P-C4'-P energy: -95.668 tors. eta vs tors. theta energy: -107.787 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: 8 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1238.159693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.159693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.159693 (E_RNA) where: Base-Base interactions energy: -744.918 where: short stacking energy: -374.272 Base-Backbone interact. energy: 7.449 local terms energy: -500.690487 where: bonds (distance) C4'-P energy: -130.124 bonds (distance) P-C4' energy: -112.043 flat angles C4'-P-C4' energy: -148.965 flat angles P-C4'-P energy: -78.339 tors. eta vs tors. theta energy: -31.219 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: 10 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -678.826799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.826799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.826799 (E_RNA) where: Base-Base interactions energy: -259.267 where: short stacking energy: -223.318 Base-Backbone interact. energy: 9.691 local terms energy: -429.251261 where: bonds (distance) C4'-P energy: -125.124 bonds (distance) P-C4' energy: -133.378 flat angles C4'-P-C4' energy: -120.463 flat angles P-C4'-P energy: -66.674 tors. eta vs tors. theta energy: 16.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -653.213718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.213718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.213718 (E_RNA) where: Base-Base interactions energy: -246.477 where: short stacking energy: -174.787 Base-Backbone interact. energy: 4.130 local terms energy: -410.867401 where: bonds (distance) C4'-P energy: -118.974 bonds (distance) P-C4' energy: -134.411 flat angles C4'-P-C4' energy: -103.508 flat angles P-C4'-P energy: -77.356 tors. eta vs tors. theta energy: 23.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2679.340417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.340417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.340417 (E_RNA) where: Base-Base interactions energy: -1816.022 where: short stacking energy: -800.187 Base-Backbone interact. energy: -5.054 local terms energy: -858.263847 where: bonds (distance) C4'-P energy: -157.361 bonds (distance) P-C4' energy: -161.461 flat angles C4'-P-C4' energy: -183.258 flat angles P-C4'-P energy: -132.838 tors. eta vs tors. theta energy: -223.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2639.183399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.183399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.183399 (E_RNA) where: Base-Base interactions energy: -1754.839 where: short stacking energy: -808.326 Base-Backbone interact. energy: -3.558 local terms energy: -880.786602 where: bonds (distance) C4'-P energy: -159.819 bonds (distance) P-C4' energy: -169.177 flat angles C4'-P-C4' energy: -185.799 flat angles P-C4'-P energy: -117.682 tors. eta vs tors. theta energy: -248.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2573.711840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.711840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.711840 (E_RNA) where: Base-Base interactions energy: -1752.705 where: short stacking energy: -740.971 Base-Backbone interact. energy: -3.800 local terms energy: -817.207504 where: bonds (distance) C4'-P energy: -168.650 bonds (distance) P-C4' energy: -150.976 flat angles C4'-P-C4' energy: -170.136 flat angles P-C4'-P energy: -104.889 tors. eta vs tors. theta energy: -222.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2317.382329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.382329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.382329 (E_RNA) where: Base-Base interactions energy: -1597.574 where: short stacking energy: -687.395 Base-Backbone interact. energy: -2.091 local terms energy: -717.717114 where: bonds (distance) C4'-P energy: -139.500 bonds (distance) P-C4' energy: -144.909 flat angles C4'-P-C4' energy: -161.542 flat angles P-C4'-P energy: -98.494 tors. eta vs tors. theta energy: -173.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2218.093684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.093684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.093684 (E_RNA) where: Base-Base interactions energy: -1508.361 where: short stacking energy: -628.429 Base-Backbone interact. energy: -0.048 local terms energy: -709.684572 where: bonds (distance) C4'-P energy: -129.379 bonds (distance) P-C4' energy: -145.894 flat angles C4'-P-C4' energy: -154.318 flat angles P-C4'-P energy: -109.251 tors. eta vs tors. theta energy: -170.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1909.081775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.081775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.081775 (E_RNA) where: Base-Base interactions energy: -1242.906 where: short stacking energy: -540.836 Base-Backbone interact. energy: -0.239 local terms energy: -665.937034 where: bonds (distance) C4'-P energy: -134.796 bonds (distance) P-C4' energy: -152.996 flat angles C4'-P-C4' energy: -158.504 flat angles P-C4'-P energy: -95.158 tors. eta vs tors. theta energy: -124.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1677.319482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.319482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.319482 (E_RNA) where: Base-Base interactions energy: -1037.455 where: short stacking energy: -509.663 Base-Backbone interact. energy: -1.218 local terms energy: -638.646852 where: bonds (distance) C4'-P energy: -144.251 bonds (distance) P-C4' energy: -135.174 flat angles C4'-P-C4' energy: -162.991 flat angles P-C4'-P energy: -88.977 tors. eta vs tors. theta energy: -107.254 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: 8 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1242.070234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.070234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.070234 (E_RNA) where: Base-Base interactions energy: -727.012 where: short stacking energy: -334.303 Base-Backbone interact. energy: -2.350 local terms energy: -512.708561 where: bonds (distance) C4'-P energy: -125.983 bonds (distance) P-C4' energy: -148.051 flat angles C4'-P-C4' energy: -107.682 flat angles P-C4'-P energy: -93.015 tors. eta vs tors. theta energy: -37.978 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: 10 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -646.005548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.005548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.005548 (E_RNA) where: Base-Base interactions energy: -230.675 where: short stacking energy: -181.566 Base-Backbone interact. energy: 5.302 local terms energy: -420.631939 where: bonds (distance) C4'-P energy: -135.964 bonds (distance) P-C4' energy: -138.655 flat angles C4'-P-C4' energy: -103.996 flat angles P-C4'-P energy: -66.997 tors. eta vs tors. theta energy: 24.980 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: 10, replica: 6 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -610.290819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.290819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.290819 (E_RNA) where: Base-Base interactions energy: -212.033 where: short stacking energy: -200.592 Base-Backbone interact. energy: 4.362 local terms energy: -402.619370 where: bonds (distance) C4'-P energy: -144.015 bonds (distance) P-C4' energy: -119.110 flat angles C4'-P-C4' energy: -91.256 flat angles P-C4'-P energy: -70.241 tors. eta vs tors. theta energy: 22.003 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: 1, replica: 2 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2637.156788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.156788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.156788 (E_RNA) where: Base-Base interactions energy: -1794.252 where: short stacking energy: -803.467 Base-Backbone interact. energy: -2.511 local terms energy: -840.394120 where: bonds (distance) C4'-P energy: -167.815 bonds (distance) P-C4' energy: -150.257 flat angles C4'-P-C4' energy: -179.246 flat angles P-C4'-P energy: -120.752 tors. eta vs tors. theta energy: -222.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2625.932517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.932517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.932517 (E_RNA) where: Base-Base interactions energy: -1774.092 where: short stacking energy: -783.837 Base-Backbone interact. energy: -1.956 local terms energy: -849.884212 where: bonds (distance) C4'-P energy: -158.407 bonds (distance) P-C4' energy: -154.995 flat angles C4'-P-C4' energy: -181.082 flat angles P-C4'-P energy: -121.275 tors. eta vs tors. theta energy: -234.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2613.615432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.615432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.615432 (E_RNA) where: Base-Base interactions energy: -1825.032 where: short stacking energy: -751.355 Base-Backbone interact. energy: -3.066 local terms energy: -785.516850 where: bonds (distance) C4'-P energy: -135.710 bonds (distance) P-C4' energy: -151.799 flat angles C4'-P-C4' energy: -170.264 flat angles P-C4'-P energy: -118.595 tors. eta vs tors. theta energy: -209.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2330.608958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.608958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.608958 (E_RNA) where: Base-Base interactions energy: -1588.345 where: short stacking energy: -703.970 Base-Backbone interact. energy: -1.607 local terms energy: -740.656875 where: bonds (distance) C4'-P energy: -128.510 bonds (distance) P-C4' energy: -147.061 flat angles C4'-P-C4' energy: -168.795 flat angles P-C4'-P energy: -104.290 tors. eta vs tors. theta energy: -192.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2171.107483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.107483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.107483 (E_RNA) where: Base-Base interactions energy: -1469.171 where: short stacking energy: -618.818 Base-Backbone interact. energy: -3.723 local terms energy: -698.213470 where: bonds (distance) C4'-P energy: -135.179 bonds (distance) P-C4' energy: -136.173 flat angles C4'-P-C4' energy: -153.490 flat angles P-C4'-P energy: -118.736 tors. eta vs tors. theta energy: -154.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1887.319128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.319128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.319128 (E_RNA) where: Base-Base interactions energy: -1261.729 where: short stacking energy: -564.531 Base-Backbone interact. energy: -3.109 local terms energy: -622.481936 where: bonds (distance) C4'-P energy: -129.193 bonds (distance) P-C4' energy: -137.966 flat angles C4'-P-C4' energy: -142.215 flat angles P-C4'-P energy: -80.638 tors. eta vs tors. theta energy: -132.471 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: 7 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1710.554199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.554199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.554199 (E_RNA) where: Base-Base interactions energy: -1081.750 where: short stacking energy: -524.276 Base-Backbone interact. energy: -2.946 local terms energy: -625.858849 where: bonds (distance) C4'-P energy: -148.268 bonds (distance) P-C4' energy: -128.998 flat angles C4'-P-C4' energy: -142.303 flat angles P-C4'-P energy: -96.998 tors. eta vs tors. theta energy: -109.291 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: 8, replica: 8 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1314.659309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.659309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.659309 (E_RNA) where: Base-Base interactions energy: -773.066 where: short stacking energy: -384.402 Base-Backbone interact. energy: 8.363 local terms energy: -549.956261 where: bonds (distance) C4'-P energy: -131.416 bonds (distance) P-C4' energy: -151.108 flat angles C4'-P-C4' energy: -136.699 flat angles P-C4'-P energy: -82.418 tors. eta vs tors. theta energy: -48.315 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: 10 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -689.322009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.322009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.322009 (E_RNA) where: Base-Base interactions energy: -280.194 where: short stacking energy: -183.963 Base-Backbone interact. energy: 3.468 local terms energy: -412.595317 where: bonds (distance) C4'-P energy: -112.488 bonds (distance) P-C4' energy: -129.429 flat angles C4'-P-C4' energy: -126.753 flat angles P-C4'-P energy: -65.989 tors. eta vs tors. theta energy: 22.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -585.532228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.532228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.532228 (E_RNA) where: Base-Base interactions energy: -201.705 where: short stacking energy: -172.471 Base-Backbone interact. energy: 0.493 local terms energy: -384.320228 where: bonds (distance) C4'-P energy: -126.724 bonds (distance) P-C4' energy: -125.664 flat angles C4'-P-C4' energy: -93.148 flat angles P-C4'-P energy: -58.431 tors. eta vs tors. theta energy: 19.647 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: 2 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2651.779589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.779589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.779589 (E_RNA) where: Base-Base interactions energy: -1807.604 where: short stacking energy: -779.612 Base-Backbone interact. energy: -5.303 local terms energy: -838.872327 where: bonds (distance) C4'-P energy: -160.093 bonds (distance) P-C4' energy: -148.158 flat angles C4'-P-C4' energy: -190.166 flat angles P-C4'-P energy: -130.245 tors. eta vs tors. theta energy: -210.210 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: 2, replica: 1 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2618.770404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.770404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.770404 (E_RNA) where: Base-Base interactions energy: -1794.157 where: short stacking energy: -829.223 Base-Backbone interact. energy: -3.713 local terms energy: -820.901038 where: bonds (distance) C4'-P energy: -138.116 bonds (distance) P-C4' energy: -155.613 flat angles C4'-P-C4' energy: -178.857 flat angles P-C4'-P energy: -112.105 tors. eta vs tors. theta energy: -236.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2541.166920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.166920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.166920 (E_RNA) where: Base-Base interactions energy: -1754.030 where: short stacking energy: -747.714 Base-Backbone interact. energy: -6.010 local terms energy: -781.126418 where: bonds (distance) C4'-P energy: -131.869 bonds (distance) P-C4' energy: -154.385 flat angles C4'-P-C4' energy: -168.940 flat angles P-C4'-P energy: -129.752 tors. eta vs tors. theta energy: -196.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2382.067580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.067580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.067580 (E_RNA) where: Base-Base interactions energy: -1633.080 where: short stacking energy: -706.102 Base-Backbone interact. energy: -0.932 local terms energy: -748.054825 where: bonds (distance) C4'-P energy: -142.145 bonds (distance) P-C4' energy: -149.166 flat angles C4'-P-C4' energy: -155.566 flat angles P-C4'-P energy: -118.603 tors. eta vs tors. theta energy: -182.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2180.231430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.231430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.231430 (E_RNA) where: Base-Base interactions energy: -1457.064 where: short stacking energy: -605.120 Base-Backbone interact. energy: -2.422 local terms energy: -720.745252 where: bonds (distance) C4'-P energy: -147.501 bonds (distance) P-C4' energy: -137.657 flat angles C4'-P-C4' energy: -168.682 flat angles P-C4'-P energy: -106.078 tors. eta vs tors. theta energy: -160.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1811.740251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.740251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.740251 (E_RNA) where: Base-Base interactions energy: -1181.351 where: short stacking energy: -529.634 Base-Backbone interact. energy: -2.842 local terms energy: -627.547372 where: bonds (distance) C4'-P energy: -127.077 bonds (distance) P-C4' energy: -147.101 flat angles C4'-P-C4' energy: -139.453 flat angles P-C4'-P energy: -104.353 tors. eta vs tors. theta energy: -109.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1659.735721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.735721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.735721 (E_RNA) where: Base-Base interactions energy: -1045.727 where: short stacking energy: -472.847 Base-Backbone interact. energy: 4.447 local terms energy: -618.455679 where: bonds (distance) C4'-P energy: -140.921 bonds (distance) P-C4' energy: -142.529 flat angles C4'-P-C4' energy: -151.173 flat angles P-C4'-P energy: -82.426 tors. eta vs tors. theta energy: -101.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1321.856761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.856761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.856761 (E_RNA) where: Base-Base interactions energy: -791.825 where: short stacking energy: -388.117 Base-Backbone interact. energy: -1.021 local terms energy: -529.010922 where: bonds (distance) C4'-P energy: -141.150 bonds (distance) P-C4' energy: -122.486 flat angles C4'-P-C4' energy: -141.192 flat angles P-C4'-P energy: -69.359 tors. eta vs tors. theta energy: -54.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -716.082899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.082899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.082899 (E_RNA) where: Base-Base interactions energy: -282.058 where: short stacking energy: -186.151 Base-Backbone interact. energy: 10.963 local terms energy: -444.988036 where: bonds (distance) C4'-P energy: -126.722 bonds (distance) P-C4' energy: -130.143 flat angles C4'-P-C4' energy: -151.389 flat angles P-C4'-P energy: -68.653 tors. eta vs tors. theta energy: 31.919 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: 6 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -603.257936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.257936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.257936 (E_RNA) where: Base-Base interactions energy: -235.530 where: short stacking energy: -171.097 Base-Backbone interact. energy: 5.272 local terms energy: -373.000347 where: bonds (distance) C4'-P energy: -138.160 bonds (distance) P-C4' energy: -124.601 flat angles C4'-P-C4' energy: -96.888 flat angles P-C4'-P energy: -42.750 tors. eta vs tors. theta energy: 29.399 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: 1 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2679.513363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.513363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.513363 (E_RNA) where: Base-Base interactions energy: -1817.025 where: short stacking energy: -814.875 Base-Backbone interact. energy: -3.951 local terms energy: -858.537300 where: bonds (distance) C4'-P energy: -149.270 bonds (distance) P-C4' energy: -157.314 flat angles C4'-P-C4' energy: -190.541 flat angles P-C4'-P energy: -117.554 tors. eta vs tors. theta energy: -243.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2622.190640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.190640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.190640 (E_RNA) where: Base-Base interactions energy: -1800.286 where: short stacking energy: -749.528 Base-Backbone interact. energy: 0.687 local terms energy: -822.592263 where: bonds (distance) C4'-P energy: -141.001 bonds (distance) P-C4' energy: -164.068 flat angles C4'-P-C4' energy: -178.388 flat angles P-C4'-P energy: -125.991 tors. eta vs tors. theta energy: -213.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2562.750652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.750652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.750652 (E_RNA) where: Base-Base interactions energy: -1762.339 where: short stacking energy: -773.114 Base-Backbone interact. energy: -5.247 local terms energy: -795.165102 where: bonds (distance) C4'-P energy: -143.136 bonds (distance) P-C4' energy: -162.072 flat angles C4'-P-C4' energy: -166.533 flat angles P-C4'-P energy: -123.846 tors. eta vs tors. theta energy: -199.578 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: 9 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2430.375139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.375139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.375139 (E_RNA) where: Base-Base interactions energy: -1651.957 where: short stacking energy: -713.128 Base-Backbone interact. energy: 0.526 local terms energy: -778.944048 where: bonds (distance) C4'-P energy: -139.014 bonds (distance) P-C4' energy: -155.466 flat angles C4'-P-C4' energy: -173.693 flat angles P-C4'-P energy: -113.439 tors. eta vs tors. theta energy: -197.333 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: 420 Temperature: 1.100000 Total energy: -2186.462881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.462881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.462881 (E_RNA) where: Base-Base interactions energy: -1448.962 where: short stacking energy: -638.954 Base-Backbone interact. energy: -2.727 local terms energy: -734.773470 where: bonds (distance) C4'-P energy: -152.332 bonds (distance) P-C4' energy: -149.699 flat angles C4'-P-C4' energy: -152.607 flat angles P-C4'-P energy: -111.722 tors. eta vs tors. theta energy: -168.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1866.167924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.167924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.167924 (E_RNA) where: Base-Base interactions energy: -1212.157 where: short stacking energy: -564.470 Base-Backbone interact. energy: -4.447 local terms energy: -649.564454 where: bonds (distance) C4'-P energy: -135.791 bonds (distance) P-C4' energy: -138.188 flat angles C4'-P-C4' energy: -149.527 flat angles P-C4'-P energy: -105.347 tors. eta vs tors. theta energy: -120.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1682.361578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.361578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.361578 (E_RNA) where: Base-Base interactions energy: -1081.817 where: short stacking energy: -506.536 Base-Backbone interact. energy: -1.886 local terms energy: -598.659087 where: bonds (distance) C4'-P energy: -144.001 bonds (distance) P-C4' energy: -134.964 flat angles C4'-P-C4' energy: -141.653 flat angles P-C4'-P energy: -82.670 tors. eta vs tors. theta energy: -95.372 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: 8 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1333.169633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.169633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.169633 (E_RNA) where: Base-Base interactions energy: -781.092 where: short stacking energy: -351.696 Base-Backbone interact. energy: -0.633 local terms energy: -551.445400 where: bonds (distance) C4'-P energy: -126.987 bonds (distance) P-C4' energy: -127.389 flat angles C4'-P-C4' energy: -148.503 flat angles P-C4'-P energy: -85.063 tors. eta vs tors. theta energy: -63.504 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: 10 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -700.491592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.491592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.491592 (E_RNA) where: Base-Base interactions energy: -270.126 where: short stacking energy: -218.381 Base-Backbone interact. energy: 2.926 local terms energy: -433.291956 where: bonds (distance) C4'-P energy: -141.597 bonds (distance) P-C4' energy: -125.859 flat angles C4'-P-C4' energy: -123.224 flat angles P-C4'-P energy: -60.984 tors. eta vs tors. theta energy: 18.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -692.675691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.675691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.675691 (E_RNA) where: Base-Base interactions energy: -277.815 where: short stacking energy: -189.481 Base-Backbone interact. energy: -1.806 local terms energy: -413.054261 where: bonds (distance) C4'-P energy: -112.588 bonds (distance) P-C4' energy: -138.736 flat angles C4'-P-C4' energy: -119.032 flat angles P-C4'-P energy: -66.468 tors. eta vs tors. theta energy: 23.770 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: 1 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2657.957753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.957753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.957753 (E_RNA) where: Base-Base interactions energy: -1812.595 where: short stacking energy: -812.660 Base-Backbone interact. energy: -1.635 local terms energy: -843.728021 where: bonds (distance) C4'-P energy: -142.328 bonds (distance) P-C4' energy: -168.335 flat angles C4'-P-C4' energy: -176.966 flat angles P-C4'-P energy: -122.926 tors. eta vs tors. theta energy: -233.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2618.857874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.857874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.857874 (E_RNA) where: Base-Base interactions energy: -1807.925 where: short stacking energy: -764.430 Base-Backbone interact. energy: -3.475 local terms energy: -807.457826 where: bonds (distance) C4'-P energy: -147.501 bonds (distance) P-C4' energy: -153.758 flat angles C4'-P-C4' energy: -188.979 flat angles P-C4'-P energy: -108.334 tors. eta vs tors. theta energy: -208.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2589.270694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.270694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.270694 (E_RNA) where: Base-Base interactions energy: -1793.804 where: short stacking energy: -744.512 Base-Backbone interact. energy: -6.791 local terms energy: -788.675503 where: bonds (distance) C4'-P energy: -145.478 bonds (distance) P-C4' energy: -158.670 flat angles C4'-P-C4' energy: -185.609 flat angles P-C4'-P energy: -103.203 tors. eta vs tors. theta energy: -195.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2414.798600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.798600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.798600 (E_RNA) where: Base-Base interactions energy: -1662.968 where: short stacking energy: -703.258 Base-Backbone interact. energy: -1.820 local terms energy: -750.009775 where: bonds (distance) C4'-P energy: -149.075 bonds (distance) P-C4' energy: -139.580 flat angles C4'-P-C4' energy: -160.902 flat angles P-C4'-P energy: -103.182 tors. eta vs tors. theta energy: -197.270 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: 5, replica: 4 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2154.179806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.179806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.179806 (E_RNA) where: Base-Base interactions energy: -1413.742 where: short stacking energy: -643.913 Base-Backbone interact. energy: -1.195 local terms energy: -739.242765 where: bonds (distance) C4'-P energy: -158.610 bonds (distance) P-C4' energy: -146.201 flat angles C4'-P-C4' energy: -168.688 flat angles P-C4'-P energy: -107.420 tors. eta vs tors. theta energy: -158.323 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: 5 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1813.449918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.449918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.449918 (E_RNA) where: Base-Base interactions energy: -1197.387 where: short stacking energy: -533.214 Base-Backbone interact. energy: 0.376 local terms energy: -616.439332 where: bonds (distance) C4'-P energy: -125.045 bonds (distance) P-C4' energy: -140.881 flat angles C4'-P-C4' energy: -144.237 flat angles P-C4'-P energy: -86.995 tors. eta vs tors. theta energy: -119.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1659.731775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.731775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.731775 (E_RNA) where: Base-Base interactions energy: -1046.244 where: short stacking energy: -474.394 Base-Backbone interact. energy: -1.705 local terms energy: -611.783042 where: bonds (distance) C4'-P energy: -133.817 bonds (distance) P-C4' energy: -146.323 flat angles C4'-P-C4' energy: -152.737 flat angles P-C4'-P energy: -88.166 tors. eta vs tors. theta energy: -90.741 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: 8 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1353.486419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.486419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.486419 (E_RNA) where: Base-Base interactions energy: -815.682 where: short stacking energy: -388.556 Base-Backbone interact. energy: 3.673 local terms energy: -541.477302 where: bonds (distance) C4'-P energy: -140.730 bonds (distance) P-C4' energy: -131.966 flat angles C4'-P-C4' energy: -148.917 flat angles P-C4'-P energy: -57.493 tors. eta vs tors. theta energy: -62.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -761.815286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.815286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.815286 (E_RNA) where: Base-Base interactions energy: -314.087 where: short stacking energy: -204.310 Base-Backbone interact. energy: -2.218 local terms energy: -445.510415 where: bonds (distance) C4'-P energy: -125.297 bonds (distance) P-C4' energy: -152.702 flat angles C4'-P-C4' energy: -113.505 flat angles P-C4'-P energy: -70.442 tors. eta vs tors. theta energy: 16.435 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: 6 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -592.438527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.438527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.438527 (E_RNA) where: Base-Base interactions energy: -226.229 where: short stacking energy: -177.518 Base-Backbone interact. energy: 0.589 local terms energy: -366.799360 where: bonds (distance) C4'-P energy: -101.888 bonds (distance) P-C4' energy: -133.204 flat angles C4'-P-C4' energy: -102.912 flat angles P-C4'-P energy: -68.740 tors. eta vs tors. theta energy: 39.945 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: 1 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2707.462800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.462800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.462800 (E_RNA) where: Base-Base interactions energy: -1822.467 where: short stacking energy: -806.495 Base-Backbone interact. energy: -5.151 local terms energy: -879.844793 where: bonds (distance) C4'-P energy: -170.139 bonds (distance) P-C4' energy: -167.880 flat angles C4'-P-C4' energy: -183.564 flat angles P-C4'-P energy: -128.888 tors. eta vs tors. theta energy: -229.374 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: 422 Temperature: 0.950000 Total energy: -2651.337774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.337774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.337774 (E_RNA) where: Base-Base interactions energy: -1831.739 where: short stacking energy: -769.988 Base-Backbone interact. energy: -2.383 local terms energy: -817.214958 where: bonds (distance) C4'-P energy: -150.397 bonds (distance) P-C4' energy: -156.579 flat angles C4'-P-C4' energy: -165.529 flat angles P-C4'-P energy: -124.124 tors. eta vs tors. theta energy: -220.587 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: 3 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2572.446279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.446279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.446279 (E_RNA) where: Base-Base interactions energy: -1781.875 where: short stacking energy: -774.169 Base-Backbone interact. energy: -6.178 local terms energy: -784.393539 where: bonds (distance) C4'-P energy: -145.360 bonds (distance) P-C4' energy: -141.068 flat angles C4'-P-C4' energy: -167.483 flat angles P-C4'-P energy: -112.401 tors. eta vs tors. theta energy: -218.082 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: 9 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2476.109914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.109914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.109914 (E_RNA) where: Base-Base interactions energy: -1686.109 where: short stacking energy: -720.083 Base-Backbone interact. energy: 2.638 local terms energy: -792.639855 where: bonds (distance) C4'-P energy: -157.961 bonds (distance) P-C4' energy: -162.842 flat angles C4'-P-C4' energy: -165.118 flat angles P-C4'-P energy: -116.616 tors. eta vs tors. theta energy: -190.102 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: 5, replica: 4 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2228.755857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.755857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.755857 (E_RNA) where: Base-Base interactions energy: -1501.641 where: short stacking energy: -668.528 Base-Backbone interact. energy: -0.564 local terms energy: -726.550400 where: bonds (distance) C4'-P energy: -116.896 bonds (distance) P-C4' energy: -141.400 flat angles C4'-P-C4' energy: -163.135 flat angles P-C4'-P energy: -112.675 tors. eta vs tors. theta energy: -192.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1841.788766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.788766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.788766 (E_RNA) where: Base-Base interactions energy: -1229.592 where: short stacking energy: -538.667 Base-Backbone interact. energy: -1.402 local terms energy: -610.794528 where: bonds (distance) C4'-P energy: -131.272 bonds (distance) P-C4' energy: -147.116 flat angles C4'-P-C4' energy: -135.879 flat angles P-C4'-P energy: -86.375 tors. eta vs tors. theta energy: -110.153 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: 7 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1653.617692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.617692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.617692 (E_RNA) where: Base-Base interactions energy: -1041.946 where: short stacking energy: -459.985 Base-Backbone interact. energy: 8.373 local terms energy: -620.045224 where: bonds (distance) C4'-P energy: -149.907 bonds (distance) P-C4' energy: -145.776 flat angles C4'-P-C4' energy: -152.071 flat angles P-C4'-P energy: -85.968 tors. eta vs tors. theta energy: -86.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1404.550006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.550006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.550006 (E_RNA) where: Base-Base interactions energy: -853.617 where: short stacking energy: -394.130 Base-Backbone interact. energy: 1.339 local terms energy: -552.272188 where: bonds (distance) C4'-P energy: -109.992 bonds (distance) P-C4' energy: -140.895 flat angles C4'-P-C4' energy: -143.037 flat angles P-C4'-P energy: -78.427 tors. eta vs tors. theta energy: -79.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -788.833775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.833775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.833775 (E_RNA) where: Base-Base interactions energy: -342.157 where: short stacking energy: -210.433 Base-Backbone interact. energy: 3.014 local terms energy: -449.691104 where: bonds (distance) C4'-P energy: -137.242 bonds (distance) P-C4' energy: -139.587 flat angles C4'-P-C4' energy: -129.500 flat angles P-C4'-P energy: -64.866 tors. eta vs tors. theta energy: 21.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -631.495122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.495122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.495122 (E_RNA) where: Base-Base interactions energy: -201.992 where: short stacking energy: -162.393 Base-Backbone interact. energy: -1.523 local terms energy: -427.979965 where: bonds (distance) C4'-P energy: -116.168 bonds (distance) P-C4' energy: -146.844 flat angles C4'-P-C4' energy: -116.463 flat angles P-C4'-P energy: -65.396 tors. eta vs tors. theta energy: 16.892 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: 1 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2694.638297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.638297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.638297 (E_RNA) where: Base-Base interactions energy: -1827.816 where: short stacking energy: -822.061 Base-Backbone interact. energy: -2.894 local terms energy: -863.928267 where: bonds (distance) C4'-P energy: -159.565 bonds (distance) P-C4' energy: -165.443 flat angles C4'-P-C4' energy: -179.780 flat angles P-C4'-P energy: -122.498 tors. eta vs tors. theta energy: -236.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2593.362824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.362824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.362824 (E_RNA) where: Base-Base interactions energy: -1758.958 where: short stacking energy: -778.489 Base-Backbone interact. energy: -1.549 local terms energy: -832.855610 where: bonds (distance) C4'-P energy: -155.240 bonds (distance) P-C4' energy: -163.340 flat angles C4'-P-C4' energy: -189.749 flat angles P-C4'-P energy: -121.488 tors. eta vs tors. theta energy: -203.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2548.617735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.617735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.617735 (E_RNA) where: Base-Base interactions energy: -1736.223 where: short stacking energy: -765.237 Base-Backbone interact. energy: -4.461 local terms energy: -807.933576 where: bonds (distance) C4'-P energy: -143.214 bonds (distance) P-C4' energy: -163.418 flat angles C4'-P-C4' energy: -169.786 flat angles P-C4'-P energy: -130.751 tors. eta vs tors. theta energy: -200.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2433.550362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.550362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.550362 (E_RNA) where: Base-Base interactions energy: -1709.444 where: short stacking energy: -708.232 Base-Backbone interact. energy: -2.088 local terms energy: -722.018382 where: bonds (distance) C4'-P energy: -130.673 bonds (distance) P-C4' energy: -150.938 flat angles C4'-P-C4' energy: -150.394 flat angles P-C4'-P energy: -105.710 tors. eta vs tors. theta energy: -184.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2182.028937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.028937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.028937 (E_RNA) where: Base-Base interactions energy: -1459.574 where: short stacking energy: -641.697 Base-Backbone interact. energy: 2.388 local terms energy: -724.842939 where: bonds (distance) C4'-P energy: -137.387 bonds (distance) P-C4' energy: -139.643 flat angles C4'-P-C4' energy: -155.005 flat angles P-C4'-P energy: -102.613 tors. eta vs tors. theta energy: -190.195 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: 5 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1863.216745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.216745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.216745 (E_RNA) where: Base-Base interactions energy: -1213.144 where: short stacking energy: -566.727 Base-Backbone interact. energy: -0.183 local terms energy: -649.890283 where: bonds (distance) C4'-P energy: -144.362 bonds (distance) P-C4' energy: -152.784 flat angles C4'-P-C4' energy: -140.123 flat angles P-C4'-P energy: -84.291 tors. eta vs tors. theta energy: -128.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1641.329246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.329246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.329246 (E_RNA) where: Base-Base interactions energy: -1026.650 where: short stacking energy: -470.945 Base-Backbone interact. energy: -2.776 local terms energy: -611.902881 where: bonds (distance) C4'-P energy: -131.822 bonds (distance) P-C4' energy: -156.270 flat angles C4'-P-C4' energy: -144.063 flat angles P-C4'-P energy: -78.642 tors. eta vs tors. theta energy: -101.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1419.221503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.221503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.221503 (E_RNA) where: Base-Base interactions energy: -841.072 where: short stacking energy: -403.901 Base-Backbone interact. energy: 0.352 local terms energy: -578.501000 where: bonds (distance) C4'-P energy: -131.325 bonds (distance) P-C4' energy: -146.618 flat angles C4'-P-C4' energy: -143.765 flat angles P-C4'-P energy: -89.717 tors. eta vs tors. theta energy: -67.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -822.476783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.476783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.476783 (E_RNA) where: Base-Base interactions energy: -353.776 where: short stacking energy: -232.684 Base-Backbone interact. energy: 8.101 local terms energy: -476.801857 where: bonds (distance) C4'-P energy: -141.056 bonds (distance) P-C4' energy: -132.907 flat angles C4'-P-C4' energy: -125.077 flat angles P-C4'-P energy: -84.671 tors. eta vs tors. theta energy: 6.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -620.999379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.999379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.999379 (E_RNA) where: Base-Base interactions energy: -230.875 where: short stacking energy: -153.377 Base-Backbone interact. energy: 2.754 local terms energy: -392.878239 where: bonds (distance) C4'-P energy: -112.223 bonds (distance) P-C4' energy: -138.450 flat angles C4'-P-C4' energy: -103.056 flat angles P-C4'-P energy: -78.632 tors. eta vs tors. theta energy: 39.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2683.372477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.372477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.372477 (E_RNA) where: Base-Base interactions energy: -1769.156 where: short stacking energy: -846.478 Base-Backbone interact. energy: -0.095 local terms energy: -914.121408 where: bonds (distance) C4'-P energy: -159.466 bonds (distance) P-C4' energy: -181.854 flat angles C4'-P-C4' energy: -187.933 flat angles P-C4'-P energy: -128.590 tors. eta vs tors. theta energy: -256.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2598.405690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.405690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.405690 (E_RNA) where: Base-Base interactions energy: -1771.480 where: short stacking energy: -788.830 Base-Backbone interact. energy: -5.034 local terms energy: -821.891752 where: bonds (distance) C4'-P energy: -148.369 bonds (distance) P-C4' energy: -172.660 flat angles C4'-P-C4' energy: -182.003 flat angles P-C4'-P energy: -107.109 tors. eta vs tors. theta energy: -211.751 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: 3 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2524.425958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.425958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.425958 (E_RNA) where: Base-Base interactions energy: -1728.430 where: short stacking energy: -729.889 Base-Backbone interact. energy: -5.014 local terms energy: -790.982784 where: bonds (distance) C4'-P energy: -148.865 bonds (distance) P-C4' energy: -156.360 flat angles C4'-P-C4' energy: -177.821 flat angles P-C4'-P energy: -106.134 tors. eta vs tors. theta energy: -201.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2399.670015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.670015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.670015 (E_RNA) where: Base-Base interactions energy: -1671.151 where: short stacking energy: -690.590 Base-Backbone interact. energy: 2.716 local terms energy: -731.235611 where: bonds (distance) C4'-P energy: -133.184 bonds (distance) P-C4' energy: -142.883 flat angles C4'-P-C4' energy: -150.714 flat angles P-C4'-P energy: -117.996 tors. eta vs tors. theta energy: -186.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2175.897371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.897371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.897371 (E_RNA) where: Base-Base interactions energy: -1457.469 where: short stacking energy: -626.447 Base-Backbone interact. energy: -1.832 local terms energy: -716.596911 where: bonds (distance) C4'-P energy: -134.300 bonds (distance) P-C4' energy: -149.810 flat angles C4'-P-C4' energy: -164.488 flat angles P-C4'-P energy: -95.564 tors. eta vs tors. theta energy: -172.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1855.064935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.064935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.064935 (E_RNA) where: Base-Base interactions energy: -1221.099 where: short stacking energy: -576.096 Base-Backbone interact. energy: -2.995 local terms energy: -630.970393 where: bonds (distance) C4'-P energy: -136.301 bonds (distance) P-C4' energy: -120.549 flat angles C4'-P-C4' energy: -153.369 flat angles P-C4'-P energy: -92.491 tors. eta vs tors. theta energy: -128.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1599.461121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.461121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.461121 (E_RNA) where: Base-Base interactions energy: -998.226 where: short stacking energy: -452.276 Base-Backbone interact. energy: -0.085 local terms energy: -601.150218 where: bonds (distance) C4'-P energy: -121.334 bonds (distance) P-C4' energy: -144.608 flat angles C4'-P-C4' energy: -140.779 flat angles P-C4'-P energy: -92.128 tors. eta vs tors. theta energy: -102.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1369.194420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.194420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.194420 (E_RNA) where: Base-Base interactions energy: -828.893 where: short stacking energy: -412.904 Base-Backbone interact. energy: 0.238 local terms energy: -540.539366 where: bonds (distance) C4'-P energy: -131.475 bonds (distance) P-C4' energy: -114.590 flat angles C4'-P-C4' energy: -122.632 flat angles P-C4'-P energy: -97.884 tors. eta vs tors. theta energy: -73.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -868.934233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.934233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.934233 (E_RNA) where: Base-Base interactions energy: -410.111 where: short stacking energy: -247.086 Base-Backbone interact. energy: 1.589 local terms energy: -460.412099 where: bonds (distance) C4'-P energy: -147.738 bonds (distance) P-C4' energy: -127.999 flat angles C4'-P-C4' energy: -122.046 flat angles P-C4'-P energy: -59.856 tors. eta vs tors. theta energy: -2.773 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: 6 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -761.807054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.807054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.807054 (E_RNA) where: Base-Base interactions energy: -329.544 where: short stacking energy: -204.881 Base-Backbone interact. energy: 4.219 local terms energy: -436.482052 where: bonds (distance) C4'-P energy: -126.236 bonds (distance) P-C4' energy: -126.429 flat angles C4'-P-C4' energy: -116.684 flat angles P-C4'-P energy: -74.331 tors. eta vs tors. theta energy: 7.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2734.718293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.718293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.718293 (E_RNA) where: Base-Base interactions energy: -1827.482 where: short stacking energy: -842.799 Base-Backbone interact. energy: -2.158 local terms energy: -905.078590 where: bonds (distance) C4'-P energy: -163.782 bonds (distance) P-C4' energy: -170.536 flat angles C4'-P-C4' energy: -200.446 flat angles P-C4'-P energy: -126.130 tors. eta vs tors. theta energy: -244.186 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: 2 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2619.927209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.927209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.927209 (E_RNA) where: Base-Base interactions energy: -1785.875 where: short stacking energy: -769.319 Base-Backbone interact. energy: -2.883 local terms energy: -831.169734 where: bonds (distance) C4'-P energy: -145.667 bonds (distance) P-C4' energy: -163.651 flat angles C4'-P-C4' energy: -174.166 flat angles P-C4'-P energy: -129.445 tors. eta vs tors. theta energy: -218.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2504.428696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.428696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.428696 (E_RNA) where: Base-Base interactions energy: -1690.015 where: short stacking energy: -726.992 Base-Backbone interact. energy: -3.599 local terms energy: -810.814662 where: bonds (distance) C4'-P energy: -151.605 bonds (distance) P-C4' energy: -167.356 flat angles C4'-P-C4' energy: -171.134 flat angles P-C4'-P energy: -125.345 tors. eta vs tors. theta energy: -195.375 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: 4, replica: 9 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2470.594618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.594618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.594618 (E_RNA) where: Base-Base interactions energy: -1708.660 where: short stacking energy: -717.409 Base-Backbone interact. energy: -2.538 local terms energy: -759.396122 where: bonds (distance) C4'-P energy: -134.692 bonds (distance) P-C4' energy: -145.944 flat angles C4'-P-C4' energy: -174.956 flat angles P-C4'-P energy: -98.517 tors. eta vs tors. theta energy: -205.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2194.261386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.261386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.261386 (E_RNA) where: Base-Base interactions energy: -1449.404 where: short stacking energy: -660.439 Base-Backbone interact. energy: -5.769 local terms energy: -739.088582 where: bonds (distance) C4'-P energy: -138.220 bonds (distance) P-C4' energy: -143.606 flat angles C4'-P-C4' energy: -174.261 flat angles P-C4'-P energy: -102.404 tors. eta vs tors. theta energy: -180.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1906.263427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.263427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.263427 (E_RNA) where: Base-Base interactions energy: -1269.667 where: short stacking energy: -578.532 Base-Backbone interact. energy: 0.599 local terms energy: -637.195726 where: bonds (distance) C4'-P energy: -119.213 bonds (distance) P-C4' energy: -138.890 flat angles C4'-P-C4' energy: -153.043 flat angles P-C4'-P energy: -96.582 tors. eta vs tors. theta energy: -129.467 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: 7 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1628.185324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.185324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.185324 (E_RNA) where: Base-Base interactions energy: -1024.890 where: short stacking energy: -435.890 Base-Backbone interact. energy: -5.034 local terms energy: -598.261645 where: bonds (distance) C4'-P energy: -132.673 bonds (distance) P-C4' energy: -129.258 flat angles C4'-P-C4' energy: -144.802 flat angles P-C4'-P energy: -107.268 tors. eta vs tors. theta energy: -84.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1345.820316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.820316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.820316 (E_RNA) where: Base-Base interactions energy: -816.301 where: short stacking energy: -405.694 Base-Backbone interact. energy: 2.347 local terms energy: -531.865721 where: bonds (distance) C4'-P energy: -121.587 bonds (distance) P-C4' energy: -134.167 flat angles C4'-P-C4' energy: -140.784 flat angles P-C4'-P energy: -79.234 tors. eta vs tors. theta energy: -56.094 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: 10 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -768.053770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.053770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.053770 (E_RNA) where: Base-Base interactions energy: -346.120 where: short stacking energy: -218.363 Base-Backbone interact. energy: 14.734 local terms energy: -436.668219 where: bonds (distance) C4'-P energy: -108.244 bonds (distance) P-C4' energy: -137.875 flat angles C4'-P-C4' energy: -116.737 flat angles P-C4'-P energy: -83.206 tors. eta vs tors. theta energy: 9.394 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: 10, replica: 6 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -811.052031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.052031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.052031 (E_RNA) where: Base-Base interactions energy: -367.051 where: short stacking energy: -227.017 Base-Backbone interact. energy: 0.499 local terms energy: -444.499891 where: bonds (distance) C4'-P energy: -120.446 bonds (distance) P-C4' energy: -131.370 flat angles C4'-P-C4' energy: -114.343 flat angles P-C4'-P energy: -67.462 tors. eta vs tors. theta energy: -10.880 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: 1, replica: 1 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2711.365128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.365128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.365128 (E_RNA) where: Base-Base interactions energy: -1859.029 where: short stacking energy: -825.477 Base-Backbone interact. energy: -1.150 local terms energy: -851.185691 where: bonds (distance) C4'-P energy: -140.294 bonds (distance) P-C4' energy: -148.222 flat angles C4'-P-C4' energy: -192.044 flat angles P-C4'-P energy: -125.478 tors. eta vs tors. theta energy: -245.147 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: 2 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2631.834859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.834859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.834859 (E_RNA) where: Base-Base interactions energy: -1769.367 where: short stacking energy: -778.287 Base-Backbone interact. energy: -3.137 local terms energy: -859.330003 where: bonds (distance) C4'-P energy: -161.437 bonds (distance) P-C4' energy: -154.141 flat angles C4'-P-C4' energy: -187.617 flat angles P-C4'-P energy: -122.899 tors. eta vs tors. theta energy: -233.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2506.825896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.825896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.825896 (E_RNA) where: Base-Base interactions energy: -1729.286 where: short stacking energy: -753.993 Base-Backbone interact. energy: -1.613 local terms energy: -775.926910 where: bonds (distance) C4'-P energy: -147.238 bonds (distance) P-C4' energy: -143.249 flat angles C4'-P-C4' energy: -166.994 flat angles P-C4'-P energy: -114.782 tors. eta vs tors. theta energy: -203.663 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: 9 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2407.307313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.307313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.307313 (E_RNA) where: Base-Base interactions energy: -1638.194 where: short stacking energy: -686.156 Base-Backbone interact. energy: -7.155 local terms energy: -761.959295 where: bonds (distance) C4'-P energy: -138.905 bonds (distance) P-C4' energy: -158.703 flat angles C4'-P-C4' energy: -171.088 flat angles P-C4'-P energy: -108.230 tors. eta vs tors. theta energy: -185.033 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: 4 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2187.771492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.771492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.771492 (E_RNA) where: Base-Base interactions energy: -1476.838 where: short stacking energy: -655.325 Base-Backbone interact. energy: -1.755 local terms energy: -709.177912 where: bonds (distance) C4'-P energy: -135.771 bonds (distance) P-C4' energy: -126.822 flat angles C4'-P-C4' energy: -160.282 flat angles P-C4'-P energy: -117.119 tors. eta vs tors. theta energy: -169.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1835.908215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.908215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.908215 (E_RNA) where: Base-Base interactions energy: -1190.569 where: short stacking energy: -528.032 Base-Backbone interact. energy: -3.244 local terms energy: -642.094726 where: bonds (distance) C4'-P energy: -137.086 bonds (distance) P-C4' energy: -147.815 flat angles C4'-P-C4' energy: -157.955 flat angles P-C4'-P energy: -101.118 tors. eta vs tors. theta energy: -98.121 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: 7, replica: 7 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1597.061448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.061448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.061448 (E_RNA) where: Base-Base interactions energy: -1023.286 where: short stacking energy: -476.618 Base-Backbone interact. energy: -5.428 local terms energy: -568.347388 where: bonds (distance) C4'-P energy: -134.668 bonds (distance) P-C4' energy: -122.984 flat angles C4'-P-C4' energy: -142.301 flat angles P-C4'-P energy: -83.121 tors. eta vs tors. theta energy: -85.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1368.987163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.987163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.987163 (E_RNA) where: Base-Base interactions energy: -845.483 where: short stacking energy: -412.563 Base-Backbone interact. energy: -2.789 local terms energy: -520.714873 where: bonds (distance) C4'-P energy: -134.883 bonds (distance) P-C4' energy: -104.319 flat angles C4'-P-C4' energy: -137.942 flat angles P-C4'-P energy: -69.409 tors. eta vs tors. theta energy: -74.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -923.179804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.179804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.179804 (E_RNA) where: Base-Base interactions energy: -458.743 where: short stacking energy: -279.990 Base-Backbone interact. energy: -2.077 local terms energy: -462.359565 where: bonds (distance) C4'-P energy: -131.848 bonds (distance) P-C4' energy: -135.065 flat angles C4'-P-C4' energy: -109.096 flat angles P-C4'-P energy: -76.218 tors. eta vs tors. theta energy: -10.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -738.314276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.314276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.314276 (E_RNA) where: Base-Base interactions energy: -330.261 where: short stacking energy: -211.519 Base-Backbone interact. energy: 1.822 local terms energy: -409.874976 where: bonds (distance) C4'-P energy: -133.306 bonds (distance) P-C4' energy: -143.024 flat angles C4'-P-C4' energy: -112.538 flat angles P-C4'-P energy: -52.975 tors. eta vs tors. theta energy: 31.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2698.257238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.257238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.257238 (E_RNA) where: Base-Base interactions energy: -1835.278 where: short stacking energy: -801.673 Base-Backbone interact. energy: -4.005 local terms energy: -858.974850 where: bonds (distance) C4'-P energy: -147.253 bonds (distance) P-C4' energy: -160.664 flat angles C4'-P-C4' energy: -191.058 flat angles P-C4'-P energy: -121.520 tors. eta vs tors. theta energy: -238.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2615.953972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.953972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.953972 (E_RNA) where: Base-Base interactions energy: -1770.275 where: short stacking energy: -754.406 Base-Backbone interact. energy: -3.285 local terms energy: -842.393735 where: bonds (distance) C4'-P energy: -155.325 bonds (distance) P-C4' energy: -148.474 flat angles C4'-P-C4' energy: -192.529 flat angles P-C4'-P energy: -131.352 tors. eta vs tors. theta energy: -214.715 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: 3 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2514.231173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.231173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.231173 (E_RNA) where: Base-Base interactions energy: -1732.791 where: short stacking energy: -745.042 Base-Backbone interact. energy: -4.715 local terms energy: -776.725595 where: bonds (distance) C4'-P energy: -153.144 bonds (distance) P-C4' energy: -157.816 flat angles C4'-P-C4' energy: -159.234 flat angles P-C4'-P energy: -107.587 tors. eta vs tors. theta energy: -198.946 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: 9 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2411.624508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.624508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.624508 (E_RNA) where: Base-Base interactions energy: -1654.140 where: short stacking energy: -707.287 Base-Backbone interact. energy: -0.974 local terms energy: -756.510134 where: bonds (distance) C4'-P energy: -136.908 bonds (distance) P-C4' energy: -140.991 flat angles C4'-P-C4' energy: -176.660 flat angles P-C4'-P energy: -109.927 tors. eta vs tors. theta energy: -192.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2224.327875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.327875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.327875 (E_RNA) where: Base-Base interactions energy: -1498.270 where: short stacking energy: -649.533 Base-Backbone interact. energy: -0.340 local terms energy: -725.717823 where: bonds (distance) C4'-P energy: -129.359 bonds (distance) P-C4' energy: -150.887 flat angles C4'-P-C4' energy: -161.826 flat angles P-C4'-P energy: -110.585 tors. eta vs tors. theta energy: -173.061 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: 6, replica: 5 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1814.924803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.924803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.924803 (E_RNA) where: Base-Base interactions energy: -1214.235 where: short stacking energy: -541.351 Base-Backbone interact. energy: 3.954 local terms energy: -604.643311 where: bonds (distance) C4'-P energy: -122.071 bonds (distance) P-C4' energy: -139.531 flat angles C4'-P-C4' energy: -136.810 flat angles P-C4'-P energy: -90.762 tors. eta vs tors. theta energy: -115.470 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: 7 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1657.969810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.969810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.969810 (E_RNA) where: Base-Base interactions energy: -1035.303 where: short stacking energy: -474.202 Base-Backbone interact. energy: 3.344 local terms energy: -626.010710 where: bonds (distance) C4'-P energy: -148.482 bonds (distance) P-C4' energy: -144.328 flat angles C4'-P-C4' energy: -138.497 flat angles P-C4'-P energy: -76.986 tors. eta vs tors. theta energy: -117.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1327.840246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.840246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.840246 (E_RNA) where: Base-Base interactions energy: -802.347 where: short stacking energy: -379.062 Base-Backbone interact. energy: 0.778 local terms energy: -526.271267 where: bonds (distance) C4'-P energy: -108.923 bonds (distance) P-C4' energy: -138.661 flat angles C4'-P-C4' energy: -127.420 flat angles P-C4'-P energy: -83.151 tors. eta vs tors. theta energy: -68.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -896.810884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.810884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.810884 (E_RNA) where: Base-Base interactions energy: -437.141 where: short stacking energy: -253.001 Base-Backbone interact. energy: -2.113 local terms energy: -457.557549 where: bonds (distance) C4'-P energy: -128.898 bonds (distance) P-C4' energy: -139.215 flat angles C4'-P-C4' energy: -121.336 flat angles P-C4'-P energy: -59.853 tors. eta vs tors. theta energy: -8.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -745.887800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.887800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.887800 (E_RNA) where: Base-Base interactions energy: -327.317 where: short stacking energy: -206.977 Base-Backbone interact. energy: 2.634 local terms energy: -421.204086 where: bonds (distance) C4'-P energy: -128.279 bonds (distance) P-C4' energy: -124.239 flat angles C4'-P-C4' energy: -130.012 flat angles P-C4'-P energy: -48.034 tors. eta vs tors. theta energy: 9.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -2715.198704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.198704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.198704 (E_RNA) where: Base-Base interactions energy: -1816.561 where: short stacking energy: -828.397 Base-Backbone interact. energy: -3.824 local terms energy: -894.814170 where: bonds (distance) C4'-P energy: -160.224 bonds (distance) P-C4' energy: -173.903 flat angles C4'-P-C4' energy: -194.883 flat angles P-C4'-P energy: -120.117 tors. eta vs tors. theta energy: -245.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2580.587967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.587967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.587967 (E_RNA) where: Base-Base interactions energy: -1793.322 where: short stacking energy: -767.816 Base-Backbone interact. energy: -2.389 local terms energy: -784.877756 where: bonds (distance) C4'-P energy: -129.343 bonds (distance) P-C4' energy: -156.553 flat angles C4'-P-C4' energy: -176.341 flat angles P-C4'-P energy: -112.214 tors. eta vs tors. theta energy: -210.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2517.286437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.286437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.286437 (E_RNA) where: Base-Base interactions energy: -1753.808 where: short stacking energy: -750.920 Base-Backbone interact. energy: -6.339 local terms energy: -757.138767 where: bonds (distance) C4'-P energy: -140.475 bonds (distance) P-C4' energy: -141.300 flat angles C4'-P-C4' energy: -166.652 flat angles P-C4'-P energy: -109.847 tors. eta vs tors. theta energy: -198.866 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: 9 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2402.369367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.369367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.369367 (E_RNA) where: Base-Base interactions energy: -1638.351 where: short stacking energy: -708.564 Base-Backbone interact. energy: -3.316 local terms energy: -760.701729 where: bonds (distance) C4'-P energy: -155.178 bonds (distance) P-C4' energy: -149.088 flat angles C4'-P-C4' energy: -171.147 flat angles P-C4'-P energy: -108.045 tors. eta vs tors. theta energy: -177.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2227.939430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.939430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.939430 (E_RNA) where: Base-Base interactions energy: -1489.601 where: short stacking energy: -656.271 Base-Backbone interact. energy: -0.626 local terms energy: -737.712228 where: bonds (distance) C4'-P energy: -123.497 bonds (distance) P-C4' energy: -154.376 flat angles C4'-P-C4' energy: -168.340 flat angles P-C4'-P energy: -123.578 tors. eta vs tors. theta energy: -167.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1857.028302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.028302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.028302 (E_RNA) where: Base-Base interactions energy: -1217.271 where: short stacking energy: -566.601 Base-Backbone interact. energy: -1.857 local terms energy: -637.900142 where: bonds (distance) C4'-P energy: -113.652 bonds (distance) P-C4' energy: -134.549 flat angles C4'-P-C4' energy: -151.746 flat angles P-C4'-P energy: -105.043 tors. eta vs tors. theta energy: -132.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1639.124464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.124464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.124464 (E_RNA) where: Base-Base interactions energy: -1020.634 where: short stacking energy: -480.093 Base-Backbone interact. energy: 0.379 local terms energy: -618.869623 where: bonds (distance) C4'-P energy: -136.520 bonds (distance) P-C4' energy: -156.437 flat angles C4'-P-C4' energy: -139.528 flat angles P-C4'-P energy: -77.359 tors. eta vs tors. theta energy: -109.025 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: 8, replica: 8 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1304.220039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.220039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.220039 (E_RNA) where: Base-Base interactions energy: -756.220 where: short stacking energy: -376.819 Base-Backbone interact. energy: 3.682 local terms energy: -551.681593 where: bonds (distance) C4'-P energy: -140.562 bonds (distance) P-C4' energy: -156.592 flat angles C4'-P-C4' energy: -127.592 flat angles P-C4'-P energy: -89.961 tors. eta vs tors. theta energy: -36.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -840.844624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.844624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.844624 (E_RNA) where: Base-Base interactions energy: -387.368 where: short stacking energy: -234.760 Base-Backbone interact. energy: 2.313 local terms energy: -455.790040 where: bonds (distance) C4'-P energy: -137.012 bonds (distance) P-C4' energy: -142.570 flat angles C4'-P-C4' energy: -114.998 flat angles P-C4'-P energy: -65.770 tors. eta vs tors. theta energy: 4.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -803.807310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.807310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.807310 (E_RNA) where: Base-Base interactions energy: -350.935 where: short stacking energy: -243.408 Base-Backbone interact. energy: 7.432 local terms energy: -460.304434 where: bonds (distance) C4'-P energy: -131.423 bonds (distance) P-C4' energy: -155.873 flat angles C4'-P-C4' energy: -119.632 flat angles P-C4'-P energy: -63.001 tors. eta vs tors. theta energy: 9.625 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: 1 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2735.084960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.084960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.084960 (E_RNA) where: Base-Base interactions energy: -1857.686 where: short stacking energy: -855.639 Base-Backbone interact. energy: -0.877 local terms energy: -876.521917 where: bonds (distance) C4'-P energy: -145.918 bonds (distance) P-C4' energy: -158.316 flat angles C4'-P-C4' energy: -196.489 flat angles P-C4'-P energy: -133.635 tors. eta vs tors. theta energy: -242.164 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: 2 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2574.680097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.680097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.680097 (E_RNA) where: Base-Base interactions energy: -1757.359 where: short stacking energy: -764.140 Base-Backbone interact. energy: -4.155 local terms energy: -813.165674 where: bonds (distance) C4'-P energy: -166.421 bonds (distance) P-C4' energy: -158.248 flat angles C4'-P-C4' energy: -175.732 flat angles P-C4'-P energy: -115.779 tors. eta vs tors. theta energy: -196.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2515.205927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.205927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.205927 (E_RNA) where: Base-Base interactions energy: -1726.737 where: short stacking energy: -704.909 Base-Backbone interact. energy: -2.167 local terms energy: -786.301683 where: bonds (distance) C4'-P energy: -146.576 bonds (distance) P-C4' energy: -158.355 flat angles C4'-P-C4' energy: -172.060 flat angles P-C4'-P energy: -116.508 tors. eta vs tors. theta energy: -192.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2421.817590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.817590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.817590 (E_RNA) where: Base-Base interactions energy: -1674.367 where: short stacking energy: -747.296 Base-Backbone interact. energy: -1.859 local terms energy: -745.590914 where: bonds (distance) C4'-P energy: -136.689 bonds (distance) P-C4' energy: -147.382 flat angles C4'-P-C4' energy: -162.995 flat angles P-C4'-P energy: -107.502 tors. eta vs tors. theta energy: -191.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2197.648737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.648737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.648737 (E_RNA) where: Base-Base interactions energy: -1465.692 where: short stacking energy: -610.723 Base-Backbone interact. energy: -5.313 local terms energy: -726.643233 where: bonds (distance) C4'-P energy: -142.337 bonds (distance) P-C4' energy: -152.638 flat angles C4'-P-C4' energy: -164.050 flat angles P-C4'-P energy: -115.463 tors. eta vs tors. theta energy: -152.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1829.731653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.731653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.731653 (E_RNA) where: Base-Base interactions energy: -1187.600 where: short stacking energy: -526.419 Base-Backbone interact. energy: -1.958 local terms energy: -640.173522 where: bonds (distance) C4'-P energy: -136.653 bonds (distance) P-C4' energy: -142.739 flat angles C4'-P-C4' energy: -160.876 flat angles P-C4'-P energy: -84.458 tors. eta vs tors. theta energy: -115.447 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: 7, replica: 7 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1660.827002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.827002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.827002 (E_RNA) where: Base-Base interactions energy: -1024.526 where: short stacking energy: -505.149 Base-Backbone interact. energy: -1.650 local terms energy: -634.651726 where: bonds (distance) C4'-P energy: -136.506 bonds (distance) P-C4' energy: -140.738 flat angles C4'-P-C4' energy: -149.436 flat angles P-C4'-P energy: -98.068 tors. eta vs tors. theta energy: -109.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1282.350562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.350562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.350562 (E_RNA) where: Base-Base interactions energy: -730.355 where: short stacking energy: -382.439 Base-Backbone interact. energy: -1.326 local terms energy: -550.670111 where: bonds (distance) C4'-P energy: -149.148 bonds (distance) P-C4' energy: -133.928 flat angles C4'-P-C4' energy: -134.037 flat angles P-C4'-P energy: -79.684 tors. eta vs tors. theta energy: -53.873 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: 10 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -828.295877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.295877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.295877 (E_RNA) where: Base-Base interactions energy: -344.338 where: short stacking energy: -228.419 Base-Backbone interact. energy: -1.584 local terms energy: -482.374018 where: bonds (distance) C4'-P energy: -167.977 bonds (distance) P-C4' energy: -157.092 flat angles C4'-P-C4' energy: -111.287 flat angles P-C4'-P energy: -54.082 tors. eta vs tors. theta energy: 8.064 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: 6 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -753.225150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.225150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.225150 (E_RNA) where: Base-Base interactions energy: -336.391 where: short stacking energy: -206.425 Base-Backbone interact. energy: 1.207 local terms energy: -418.041434 where: bonds (distance) C4'-P energy: -111.316 bonds (distance) P-C4' energy: -131.764 flat angles C4'-P-C4' energy: -119.825 flat angles P-C4'-P energy: -75.057 tors. eta vs tors. theta energy: 19.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2732.901939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.901939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.901939 (E_RNA) where: Base-Base interactions energy: -1853.965 where: short stacking energy: -840.849 Base-Backbone interact. energy: -1.423 local terms energy: -877.513187 where: bonds (distance) C4'-P energy: -162.137 bonds (distance) P-C4' energy: -154.512 flat angles C4'-P-C4' energy: -186.109 flat angles P-C4'-P energy: -123.552 tors. eta vs tors. theta energy: -251.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2580.507789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.507789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.507789 (E_RNA) where: Base-Base interactions energy: -1765.789 where: short stacking energy: -757.878 Base-Backbone interact. energy: -1.451 local terms energy: -813.268044 where: bonds (distance) C4'-P energy: -161.725 bonds (distance) P-C4' energy: -148.663 flat angles C4'-P-C4' energy: -179.925 flat angles P-C4'-P energy: -123.875 tors. eta vs tors. theta energy: -199.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2487.773236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.773236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.773236 (E_RNA) where: Base-Base interactions energy: -1715.883 where: short stacking energy: -720.779 Base-Backbone interact. energy: 7.019 local terms energy: -778.908807 where: bonds (distance) C4'-P energy: -164.318 bonds (distance) P-C4' energy: -140.836 flat angles C4'-P-C4' energy: -172.153 flat angles P-C4'-P energy: -116.925 tors. eta vs tors. theta energy: -184.676 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: 4, replica: 9 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2432.991491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.991491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.991491 (E_RNA) where: Base-Base interactions energy: -1660.834 where: short stacking energy: -748.795 Base-Backbone interact. energy: -0.695 local terms energy: -771.462346 where: bonds (distance) C4'-P energy: -125.077 bonds (distance) P-C4' energy: -150.394 flat angles C4'-P-C4' energy: -171.208 flat angles P-C4'-P energy: -113.319 tors. eta vs tors. theta energy: -211.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2207.425463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.425463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.425463 (E_RNA) where: Base-Base interactions energy: -1464.579 where: short stacking energy: -600.146 Base-Backbone interact. energy: -4.562 local terms energy: -738.284647 where: bonds (distance) C4'-P energy: -158.460 bonds (distance) P-C4' energy: -161.313 flat angles C4'-P-C4' energy: -161.936 flat angles P-C4'-P energy: -104.130 tors. eta vs tors. theta energy: -152.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1863.902765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.902765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.902765 (E_RNA) where: Base-Base interactions energy: -1211.086 where: short stacking energy: -543.159 Base-Backbone interact. energy: -4.795 local terms energy: -648.021758 where: bonds (distance) C4'-P energy: -141.143 bonds (distance) P-C4' energy: -137.975 flat angles C4'-P-C4' energy: -160.487 flat angles P-C4'-P energy: -98.237 tors. eta vs tors. theta energy: -110.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1609.228913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.228913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.228913 (E_RNA) where: Base-Base interactions energy: -998.896 where: short stacking energy: -458.343 Base-Backbone interact. energy: -0.961 local terms energy: -609.372023 where: bonds (distance) C4'-P energy: -141.251 bonds (distance) P-C4' energy: -144.302 flat angles C4'-P-C4' energy: -149.634 flat angles P-C4'-P energy: -84.539 tors. eta vs tors. theta energy: -89.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1235.038483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.038483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.038483 (E_RNA) where: Base-Base interactions energy: -735.139 where: short stacking energy: -357.941 Base-Backbone interact. energy: 1.886 local terms energy: -501.785549 where: bonds (distance) C4'-P energy: -110.962 bonds (distance) P-C4' energy: -129.886 flat angles C4'-P-C4' energy: -139.724 flat angles P-C4'-P energy: -91.179 tors. eta vs tors. theta energy: -30.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -847.752500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.752500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.752500 (E_RNA) where: Base-Base interactions energy: -375.299 where: short stacking energy: -266.756 Base-Backbone interact. energy: 0.854 local terms energy: -473.307682 where: bonds (distance) C4'-P energy: -122.335 bonds (distance) P-C4' energy: -143.812 flat angles C4'-P-C4' energy: -120.623 flat angles P-C4'-P energy: -76.048 tors. eta vs tors. theta energy: -10.489 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: 10 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -711.834448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.834448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.834448 (E_RNA) where: Base-Base interactions energy: -315.092 where: short stacking energy: -209.244 Base-Backbone interact. energy: 3.524 local terms energy: -400.265768 where: bonds (distance) C4'-P energy: -117.677 bonds (distance) P-C4' energy: -130.767 flat angles C4'-P-C4' energy: -106.286 flat angles P-C4'-P energy: -71.538 tors. eta vs tors. theta energy: 26.001 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: 1 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -2668.682211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.682211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.682211 (E_RNA) where: Base-Base interactions energy: -1804.946 where: short stacking energy: -833.332 Base-Backbone interact. energy: -4.083 local terms energy: -859.654090 where: bonds (distance) C4'-P energy: -143.554 bonds (distance) P-C4' energy: -169.559 flat angles C4'-P-C4' energy: -183.398 flat angles P-C4'-P energy: -130.474 tors. eta vs tors. theta energy: -232.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2643.538606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.538606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.538606 (E_RNA) where: Base-Base interactions energy: -1824.710 where: short stacking energy: -779.179 Base-Backbone interact. energy: -1.683 local terms energy: -817.145865 where: bonds (distance) C4'-P energy: -147.454 bonds (distance) P-C4' energy: -153.471 flat angles C4'-P-C4' energy: -181.179 flat angles P-C4'-P energy: -122.139 tors. eta vs tors. theta energy: -212.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2475.007789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.007789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.007789 (E_RNA) where: Base-Base interactions energy: -1729.620 where: short stacking energy: -730.007 Base-Backbone interact. energy: -2.642 local terms energy: -742.745462 where: bonds (distance) C4'-P energy: -140.905 bonds (distance) P-C4' energy: -143.972 flat angles C4'-P-C4' energy: -167.674 flat angles P-C4'-P energy: -98.975 tors. eta vs tors. theta energy: -191.219 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: 9 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2347.860612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.860612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.860612 (E_RNA) where: Base-Base interactions energy: -1582.695 where: short stacking energy: -689.847 Base-Backbone interact. energy: -2.449 local terms energy: -762.717035 where: bonds (distance) C4'-P energy: -136.886 bonds (distance) P-C4' energy: -146.956 flat angles C4'-P-C4' energy: -177.253 flat angles P-C4'-P energy: -117.683 tors. eta vs tors. theta energy: -183.940 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: 4 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2246.111501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.111501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.111501 (E_RNA) where: Base-Base interactions energy: -1552.968 where: short stacking energy: -675.326 Base-Backbone interact. energy: 0.217 local terms energy: -693.360806 where: bonds (distance) C4'-P energy: -127.449 bonds (distance) P-C4' energy: -141.092 flat angles C4'-P-C4' energy: -172.473 flat angles P-C4'-P energy: -88.162 tors. eta vs tors. theta energy: -164.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1862.318100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.318100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.318100 (E_RNA) where: Base-Base interactions energy: -1183.091 where: short stacking energy: -513.223 Base-Backbone interact. energy: -3.992 local terms energy: -675.234909 where: bonds (distance) C4'-P energy: -133.836 bonds (distance) P-C4' energy: -146.826 flat angles C4'-P-C4' energy: -160.870 flat angles P-C4'-P energy: -100.825 tors. eta vs tors. theta energy: -132.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1663.950453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.950453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.950453 (E_RNA) where: Base-Base interactions energy: -1061.330 where: short stacking energy: -519.718 Base-Backbone interact. energy: 1.791 local terms energy: -604.411830 where: bonds (distance) C4'-P energy: -131.068 bonds (distance) P-C4' energy: -140.148 flat angles C4'-P-C4' energy: -135.700 flat angles P-C4'-P energy: -101.151 tors. eta vs tors. theta energy: -96.345 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: 8 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1317.940508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.940508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.940508 (E_RNA) where: Base-Base interactions energy: -747.096 where: short stacking energy: -369.063 Base-Backbone interact. energy: -2.247 local terms energy: -568.597169 where: bonds (distance) C4'-P energy: -137.644 bonds (distance) P-C4' energy: -150.438 flat angles C4'-P-C4' energy: -125.121 flat angles P-C4'-P energy: -88.583 tors. eta vs tors. theta energy: -66.810 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: 9, replica: 6 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -846.798665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.798665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.798665 (E_RNA) where: Base-Base interactions energy: -409.060 where: short stacking energy: -253.841 Base-Backbone interact. energy: -1.860 local terms energy: -435.879359 where: bonds (distance) C4'-P energy: -137.544 bonds (distance) P-C4' energy: -132.050 flat angles C4'-P-C4' energy: -92.997 flat angles P-C4'-P energy: -71.365 tors. eta vs tors. theta energy: -1.924 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: 10 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -736.684251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.684251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.684251 (E_RNA) where: Base-Base interactions energy: -319.840 where: short stacking energy: -209.981 Base-Backbone interact. energy: 2.128 local terms energy: -418.972840 where: bonds (distance) C4'-P energy: -139.907 bonds (distance) P-C4' energy: -116.035 flat angles C4'-P-C4' energy: -122.614 flat angles P-C4'-P energy: -55.013 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: 1 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -2760.805728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.805728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.805728 (E_RNA) where: Base-Base interactions energy: -1880.165 where: short stacking energy: -845.493 Base-Backbone interact. energy: -2.974 local terms energy: -877.667219 where: bonds (distance) C4'-P energy: -153.854 bonds (distance) P-C4' energy: -153.158 flat angles C4'-P-C4' energy: -193.049 flat angles P-C4'-P energy: -131.234 tors. eta vs tors. theta energy: -246.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2637.455089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.455089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.455089 (E_RNA) where: Base-Base interactions energy: -1792.099 where: short stacking energy: -771.718 Base-Backbone interact. energy: -4.375 local terms energy: -840.980879 where: bonds (distance) C4'-P energy: -145.470 bonds (distance) P-C4' energy: -160.124 flat angles C4'-P-C4' energy: -186.803 flat angles P-C4'-P energy: -123.836 tors. eta vs tors. theta energy: -224.748 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: 3 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2520.639886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.639886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.639886 (E_RNA) where: Base-Base interactions energy: -1744.229 where: short stacking energy: -754.336 Base-Backbone interact. energy: -5.663 local terms energy: -770.748713 where: bonds (distance) C4'-P energy: -141.197 bonds (distance) P-C4' energy: -159.553 flat angles C4'-P-C4' energy: -156.360 flat angles P-C4'-P energy: -114.313 tors. eta vs tors. theta energy: -199.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2354.179179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.179179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.179179 (E_RNA) where: Base-Base interactions energy: -1618.092 where: short stacking energy: -706.950 Base-Backbone interact. energy: 1.578 local terms energy: -737.664390 where: bonds (distance) C4'-P energy: -124.363 bonds (distance) P-C4' energy: -137.042 flat angles C4'-P-C4' energy: -170.660 flat angles P-C4'-P energy: -110.420 tors. eta vs tors. theta energy: -195.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2266.605692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.605692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.605692 (E_RNA) where: Base-Base interactions energy: -1553.431 where: short stacking energy: -643.975 Base-Backbone interact. energy: -1.413 local terms energy: -711.762163 where: bonds (distance) C4'-P energy: -135.835 bonds (distance) P-C4' energy: -136.301 flat angles C4'-P-C4' energy: -156.537 flat angles P-C4'-P energy: -105.773 tors. eta vs tors. theta energy: -177.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1854.873780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.873780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.873780 (E_RNA) where: Base-Base interactions energy: -1250.169 where: short stacking energy: -533.582 Base-Backbone interact. energy: 4.600 local terms energy: -609.305469 where: bonds (distance) C4'-P energy: -131.033 bonds (distance) P-C4' energy: -119.034 flat angles C4'-P-C4' energy: -143.117 flat angles P-C4'-P energy: -103.445 tors. eta vs tors. theta energy: -112.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1580.450625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.450625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.450625 (E_RNA) where: Base-Base interactions energy: -1008.301 where: short stacking energy: -452.003 Base-Backbone interact. energy: 2.580 local terms energy: -574.730540 where: bonds (distance) C4'-P energy: -117.521 bonds (distance) P-C4' energy: -119.510 flat angles C4'-P-C4' energy: -147.271 flat angles P-C4'-P energy: -96.389 tors. eta vs tors. theta energy: -94.039 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: 8 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1283.240113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.240113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.240113 (E_RNA) where: Base-Base interactions energy: -786.195 where: short stacking energy: -389.253 Base-Backbone interact. energy: -1.437 local terms energy: -495.608261 where: bonds (distance) C4'-P energy: -125.543 bonds (distance) P-C4' energy: -134.748 flat angles C4'-P-C4' energy: -140.903 flat angles P-C4'-P energy: -65.595 tors. eta vs tors. theta energy: -28.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -870.860070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.860070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.860070 (E_RNA) where: Base-Base interactions energy: -416.678 where: short stacking energy: -248.552 Base-Backbone interact. energy: -1.779 local terms energy: -452.403589 where: bonds (distance) C4'-P energy: -120.571 bonds (distance) P-C4' energy: -125.176 flat angles C4'-P-C4' energy: -126.667 flat angles P-C4'-P energy: -82.720 tors. eta vs tors. theta energy: 2.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -720.426700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.426700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.426700 (E_RNA) where: Base-Base interactions energy: -319.981 where: short stacking energy: -207.967 Base-Backbone interact. energy: -1.088 local terms energy: -399.357225 where: bonds (distance) C4'-P energy: -126.356 bonds (distance) P-C4' energy: -123.138 flat angles C4'-P-C4' energy: -97.400 flat angles P-C4'-P energy: -74.656 tors. eta vs tors. theta energy: 22.192 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: 1 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2722.788692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.788692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.788692 (E_RNA) where: Base-Base interactions energy: -1850.596 where: short stacking energy: -808.568 Base-Backbone interact. energy: -0.719 local terms energy: -871.474192 where: bonds (distance) C4'-P energy: -164.908 bonds (distance) P-C4' energy: -153.310 flat angles C4'-P-C4' energy: -185.680 flat angles P-C4'-P energy: -141.719 tors. eta vs tors. theta energy: -225.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2631.526567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.526567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.526567 (E_RNA) where: Base-Base interactions energy: -1812.133 where: short stacking energy: -786.210 Base-Backbone interact. energy: -6.065 local terms energy: -813.328152 where: bonds (distance) C4'-P energy: -158.760 bonds (distance) P-C4' energy: -163.138 flat angles C4'-P-C4' energy: -179.754 flat angles P-C4'-P energy: -101.219 tors. eta vs tors. theta energy: -210.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2529.660371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.660371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.660371 (E_RNA) where: Base-Base interactions energy: -1758.038 where: short stacking energy: -709.812 Base-Backbone interact. energy: 0.519 local terms energy: -772.141398 where: bonds (distance) C4'-P energy: -154.337 bonds (distance) P-C4' energy: -149.742 flat angles C4'-P-C4' energy: -166.298 flat angles P-C4'-P energy: -109.174 tors. eta vs tors. theta energy: -192.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2383.385340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.385340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.385340 (E_RNA) where: Base-Base interactions energy: -1672.386 where: short stacking energy: -714.186 Base-Backbone interact. energy: -1.850 local terms energy: -709.149804 where: bonds (distance) C4'-P energy: -137.961 bonds (distance) P-C4' energy: -131.435 flat angles C4'-P-C4' energy: -165.178 flat angles P-C4'-P energy: -75.323 tors. eta vs tors. theta energy: -199.253 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: 433 Temperature: 1.100000 Total energy: -2206.046469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.046469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.046469 (E_RNA) where: Base-Base interactions energy: -1481.723 where: short stacking energy: -621.644 Base-Backbone interact. energy: -3.694 local terms energy: -720.629887 where: bonds (distance) C4'-P energy: -144.189 bonds (distance) P-C4' energy: -144.752 flat angles C4'-P-C4' energy: -178.129 flat angles P-C4'-P energy: -105.610 tors. eta vs tors. theta energy: -147.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1828.220428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.220428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.220428 (E_RNA) where: Base-Base interactions energy: -1206.669 where: short stacking energy: -531.123 Base-Backbone interact. energy: 0.575 local terms energy: -622.126133 where: bonds (distance) C4'-P energy: -128.352 bonds (distance) P-C4' energy: -141.512 flat angles C4'-P-C4' energy: -150.474 flat angles P-C4'-P energy: -87.743 tors. eta vs tors. theta energy: -114.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1574.104238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.104238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.104238 (E_RNA) where: Base-Base interactions energy: -971.940 where: short stacking energy: -458.676 Base-Backbone interact. energy: -0.883 local terms energy: -601.280647 where: bonds (distance) C4'-P energy: -141.862 bonds (distance) P-C4' energy: -150.637 flat angles C4'-P-C4' energy: -136.590 flat angles P-C4'-P energy: -72.540 tors. eta vs tors. theta energy: -99.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1284.354336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.354336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.354336 (E_RNA) where: Base-Base interactions energy: -731.603 where: short stacking energy: -379.103 Base-Backbone interact. energy: 2.909 local terms energy: -555.660603 where: bonds (distance) C4'-P energy: -127.860 bonds (distance) P-C4' energy: -134.974 flat angles C4'-P-C4' energy: -146.760 flat angles P-C4'-P energy: -100.807 tors. eta vs tors. theta energy: -45.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -866.958005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.958005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.958005 (E_RNA) where: Base-Base interactions energy: -445.379 where: short stacking energy: -258.822 Base-Backbone interact. energy: 3.628 local terms energy: -425.206098 where: bonds (distance) C4'-P energy: -124.546 bonds (distance) P-C4' energy: -127.748 flat angles C4'-P-C4' energy: -110.814 flat angles P-C4'-P energy: -68.985 tors. eta vs tors. theta energy: 6.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -697.999347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.999347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.999347 (E_RNA) where: Base-Base interactions energy: -298.738 where: short stacking energy: -218.283 Base-Backbone interact. energy: -1.651 local terms energy: -397.610519 where: bonds (distance) C4'-P energy: -124.243 bonds (distance) P-C4' energy: -114.725 flat angles C4'-P-C4' energy: -95.888 flat angles P-C4'-P energy: -76.420 tors. eta vs tors. theta energy: 13.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -2735.481639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.481639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.481639 (E_RNA) where: Base-Base interactions energy: -1857.557 where: short stacking energy: -822.694 Base-Backbone interact. energy: -5.454 local terms energy: -872.470236 where: bonds (distance) C4'-P energy: -175.200 bonds (distance) P-C4' energy: -154.369 flat angles C4'-P-C4' energy: -184.148 flat angles P-C4'-P energy: -123.580 tors. eta vs tors. theta energy: -235.173 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: 2, replica: 2 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2686.155667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.155667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.155667 (E_RNA) where: Base-Base interactions energy: -1854.060 where: short stacking energy: -787.681 Base-Backbone interact. energy: -1.944 local terms energy: -830.151854 where: bonds (distance) C4'-P energy: -151.862 bonds (distance) P-C4' energy: -159.284 flat angles C4'-P-C4' energy: -185.788 flat angles P-C4'-P energy: -122.021 tors. eta vs tors. theta energy: -211.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2504.008216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.008216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.008216 (E_RNA) where: Base-Base interactions energy: -1721.070 where: short stacking energy: -723.189 Base-Backbone interact. energy: -2.411 local terms energy: -780.527365 where: bonds (distance) C4'-P energy: -145.804 bonds (distance) P-C4' energy: -164.481 flat angles C4'-P-C4' energy: -168.550 flat angles P-C4'-P energy: -113.077 tors. eta vs tors. theta energy: -188.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2387.089682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.089682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.089682 (E_RNA) where: Base-Base interactions energy: -1620.292 where: short stacking energy: -716.382 Base-Backbone interact. energy: 3.642 local terms energy: -770.439473 where: bonds (distance) C4'-P energy: -137.230 bonds (distance) P-C4' energy: -145.253 flat angles C4'-P-C4' energy: -182.912 flat angles P-C4'-P energy: -109.264 tors. eta vs tors. theta energy: -195.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2248.791208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.791208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.791208 (E_RNA) where: Base-Base interactions energy: -1503.063 where: short stacking energy: -626.270 Base-Backbone interact. energy: -2.584 local terms energy: -743.144492 where: bonds (distance) C4'-P energy: -145.182 bonds (distance) P-C4' energy: -153.792 flat angles C4'-P-C4' energy: -169.606 flat angles P-C4'-P energy: -117.430 tors. eta vs tors. theta energy: -157.135 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: 5 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1831.907084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.907084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.907084 (E_RNA) where: Base-Base interactions energy: -1192.890 where: short stacking energy: -523.620 Base-Backbone interact. energy: -4.604 local terms energy: -634.413203 where: bonds (distance) C4'-P energy: -121.085 bonds (distance) P-C4' energy: -154.836 flat angles C4'-P-C4' energy: -145.219 flat angles P-C4'-P energy: -93.143 tors. eta vs tors. theta energy: -120.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1546.036062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.036062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.036062 (E_RNA) where: Base-Base interactions energy: -973.920 where: short stacking energy: -448.365 Base-Backbone interact. energy: 2.937 local terms energy: -575.053269 where: bonds (distance) C4'-P energy: -138.525 bonds (distance) P-C4' energy: -136.133 flat angles C4'-P-C4' energy: -129.945 flat angles P-C4'-P energy: -79.634 tors. eta vs tors. theta energy: -90.816 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: 8 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1332.198973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.198973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.198973 (E_RNA) where: Base-Base interactions energy: -812.660 where: short stacking energy: -422.131 Base-Backbone interact. energy: 1.949 local terms energy: -521.487390 where: bonds (distance) C4'-P energy: -113.113 bonds (distance) P-C4' energy: -140.830 flat angles C4'-P-C4' energy: -132.048 flat angles P-C4'-P energy: -71.133 tors. eta vs tors. theta energy: -64.364 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: 6 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -856.410988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.410988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.410988 (E_RNA) where: Base-Base interactions energy: -414.524 where: short stacking energy: -242.004 Base-Backbone interact. energy: 8.226 local terms energy: -450.112737 where: bonds (distance) C4'-P energy: -110.701 bonds (distance) P-C4' energy: -157.326 flat angles C4'-P-C4' energy: -120.241 flat angles P-C4'-P energy: -70.488 tors. eta vs tors. theta energy: 8.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -758.151982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.151982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.151982 (E_RNA) where: Base-Base interactions energy: -322.289 where: short stacking energy: -186.577 Base-Backbone interact. energy: -2.672 local terms energy: -433.190898 where: bonds (distance) C4'-P energy: -133.048 bonds (distance) P-C4' energy: -141.381 flat angles C4'-P-C4' energy: -121.409 flat angles P-C4'-P energy: -51.621 tors. eta vs tors. theta energy: 14.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -2712.375599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.375599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.375599 (E_RNA) where: Base-Base interactions energy: -1869.945 where: short stacking energy: -822.157 Base-Backbone interact. energy: -3.509 local terms energy: -838.921325 where: bonds (distance) C4'-P energy: -141.741 bonds (distance) P-C4' energy: -154.461 flat angles C4'-P-C4' energy: -188.963 flat angles P-C4'-P energy: -125.055 tors. eta vs tors. theta energy: -228.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2649.313831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.313831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.313831 (E_RNA) where: Base-Base interactions energy: -1828.184 where: short stacking energy: -782.113 Base-Backbone interact. energy: -1.488 local terms energy: -819.641809 where: bonds (distance) C4'-P energy: -159.040 bonds (distance) P-C4' energy: -149.160 flat angles C4'-P-C4' energy: -181.137 flat angles P-C4'-P energy: -122.656 tors. eta vs tors. theta energy: -207.649 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: 3 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2489.218384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.218384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.218384 (E_RNA) where: Base-Base interactions energy: -1709.360 where: short stacking energy: -741.525 Base-Backbone interact. energy: -6.688 local terms energy: -773.169859 where: bonds (distance) C4'-P energy: -147.586 bonds (distance) P-C4' energy: -136.445 flat angles C4'-P-C4' energy: -171.996 flat angles P-C4'-P energy: -107.789 tors. eta vs tors. theta energy: -209.354 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: 9 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2382.589968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.589968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.589968 (E_RNA) where: Base-Base interactions energy: -1627.961 where: short stacking energy: -725.370 Base-Backbone interact. energy: -3.967 local terms energy: -750.661583 where: bonds (distance) C4'-P energy: -142.812 bonds (distance) P-C4' energy: -136.880 flat angles C4'-P-C4' energy: -174.063 flat angles P-C4'-P energy: -93.731 tors. eta vs tors. theta energy: -203.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2207.709599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.709599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.709599 (E_RNA) where: Base-Base interactions energy: -1529.086 where: short stacking energy: -656.333 Base-Backbone interact. energy: -4.624 local terms energy: -673.999806 where: bonds (distance) C4'-P energy: -129.661 bonds (distance) P-C4' energy: -119.278 flat angles C4'-P-C4' energy: -157.590 flat angles P-C4'-P energy: -104.815 tors. eta vs tors. theta energy: -162.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1879.618517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.618517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.618517 (E_RNA) where: Base-Base interactions energy: -1205.708 where: short stacking energy: -519.615 Base-Backbone interact. energy: -0.381 local terms energy: -673.530166 where: bonds (distance) C4'-P energy: -139.880 bonds (distance) P-C4' energy: -144.948 flat angles C4'-P-C4' energy: -146.793 flat angles P-C4'-P energy: -114.785 tors. eta vs tors. theta energy: -127.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1532.613557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.613557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.613557 (E_RNA) where: Base-Base interactions energy: -913.940 where: short stacking energy: -445.356 Base-Backbone interact. energy: 0.922 local terms energy: -619.595764 where: bonds (distance) C4'-P energy: -147.746 bonds (distance) P-C4' energy: -141.999 flat angles C4'-P-C4' energy: -148.286 flat angles P-C4'-P energy: -88.000 tors. eta vs tors. theta energy: -93.565 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: 8 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1294.069511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.069511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.069511 (E_RNA) where: Base-Base interactions energy: -770.564 where: short stacking energy: -398.108 Base-Backbone interact. energy: 0.372 local terms energy: -523.878460 where: bonds (distance) C4'-P energy: -130.190 bonds (distance) P-C4' energy: -132.888 flat angles C4'-P-C4' energy: -144.936 flat angles P-C4'-P energy: -54.123 tors. eta vs tors. theta energy: -61.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1012.151683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.151683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.151683 (E_RNA) where: Base-Base interactions energy: -563.614 where: short stacking energy: -278.149 Base-Backbone interact. energy: -1.688 local terms energy: -446.849914 where: bonds (distance) C4'-P energy: -127.109 bonds (distance) P-C4' energy: -119.666 flat angles C4'-P-C4' energy: -114.643 flat angles P-C4'-P energy: -81.566 tors. eta vs tors. theta energy: -3.865 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: 10 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -714.263464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.263464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.263464 (E_RNA) where: Base-Base interactions energy: -314.728 where: short stacking energy: -231.753 Base-Backbone interact. energy: 6.211 local terms energy: -405.747093 where: bonds (distance) C4'-P energy: -119.529 bonds (distance) P-C4' energy: -133.807 flat angles C4'-P-C4' energy: -122.185 flat angles P-C4'-P energy: -39.107 tors. eta vs tors. theta energy: 8.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2680.526498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.526498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.526498 (E_RNA) where: Base-Base interactions energy: -1843.022 where: short stacking energy: -825.397 Base-Backbone interact. energy: -4.485 local terms energy: -833.019524 where: bonds (distance) C4'-P energy: -157.600 bonds (distance) P-C4' energy: -164.939 flat angles C4'-P-C4' energy: -168.147 flat angles P-C4'-P energy: -122.149 tors. eta vs tors. theta energy: -220.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2587.764267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.764267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.764267 (E_RNA) where: Base-Base interactions energy: -1771.787 where: short stacking energy: -758.755 Base-Backbone interact. energy: -3.973 local terms energy: -812.004878 where: bonds (distance) C4'-P energy: -155.760 bonds (distance) P-C4' energy: -155.296 flat angles C4'-P-C4' energy: -182.843 flat angles P-C4'-P energy: -111.845 tors. eta vs tors. theta energy: -206.260 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: 3 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2549.709328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.709328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.709328 (E_RNA) where: Base-Base interactions energy: -1760.066 where: short stacking energy: -752.692 Base-Backbone interact. energy: -1.548 local terms energy: -788.096038 where: bonds (distance) C4'-P energy: -149.226 bonds (distance) P-C4' energy: -149.422 flat angles C4'-P-C4' energy: -165.438 flat angles P-C4'-P energy: -114.139 tors. eta vs tors. theta energy: -209.871 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: 4, replica: 9 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2375.272664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.272664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.272664 (E_RNA) where: Base-Base interactions energy: -1586.078 where: short stacking energy: -693.956 Base-Backbone interact. energy: -4.682 local terms energy: -784.512314 where: bonds (distance) C4'-P energy: -137.526 bonds (distance) P-C4' energy: -160.597 flat angles C4'-P-C4' energy: -189.109 flat angles P-C4'-P energy: -109.074 tors. eta vs tors. theta energy: -188.206 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: 4 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2179.460878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.460878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.460878 (E_RNA) where: Base-Base interactions energy: -1477.187 where: short stacking energy: -614.250 Base-Backbone interact. energy: -2.267 local terms energy: -700.006436 where: bonds (distance) C4'-P energy: -144.699 bonds (distance) P-C4' energy: -151.661 flat angles C4'-P-C4' energy: -160.489 flat angles P-C4'-P energy: -86.522 tors. eta vs tors. theta energy: -156.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1910.001144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.001144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.001144 (E_RNA) where: Base-Base interactions energy: -1273.686 where: short stacking energy: -543.610 Base-Backbone interact. energy: 0.553 local terms energy: -636.868092 where: bonds (distance) C4'-P energy: -129.517 bonds (distance) P-C4' energy: -147.953 flat angles C4'-P-C4' energy: -140.789 flat angles P-C4'-P energy: -93.798 tors. eta vs tors. theta energy: -124.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1522.600059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.600059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.600059 (E_RNA) where: Base-Base interactions energy: -927.318 where: short stacking energy: -445.271 Base-Backbone interact. energy: -4.835 local terms energy: -590.447084 where: bonds (distance) C4'-P energy: -115.424 bonds (distance) P-C4' energy: -160.113 flat angles C4'-P-C4' energy: -136.406 flat angles P-C4'-P energy: -87.006 tors. eta vs tors. theta energy: -91.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1256.285001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.285001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.285001 (E_RNA) where: Base-Base interactions energy: -723.237 where: short stacking energy: -375.405 Base-Backbone interact. energy: -3.022 local terms energy: -530.025963 where: bonds (distance) C4'-P energy: -138.938 bonds (distance) P-C4' energy: -141.377 flat angles C4'-P-C4' energy: -130.449 flat angles P-C4'-P energy: -64.920 tors. eta vs tors. theta energy: -54.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1092.097949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.097949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.097949 (E_RNA) where: Base-Base interactions energy: -604.530 where: short stacking energy: -331.511 Base-Backbone interact. energy: 0.827 local terms energy: -488.395381 where: bonds (distance) C4'-P energy: -134.523 bonds (distance) P-C4' energy: -126.136 flat angles C4'-P-C4' energy: -136.185 flat angles P-C4'-P energy: -49.425 tors. eta vs tors. theta energy: -42.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -665.864482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.864482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.864482 (E_RNA) where: Base-Base interactions energy: -264.259 where: short stacking energy: -195.248 Base-Backbone interact. energy: 1.793 local terms energy: -403.399262 where: bonds (distance) C4'-P energy: -128.194 bonds (distance) P-C4' energy: -148.002 flat angles C4'-P-C4' energy: -105.924 flat angles P-C4'-P energy: -49.192 tors. eta vs tors. theta energy: 27.913 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: 1 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2710.700506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.700506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.700506 (E_RNA) where: Base-Base interactions energy: -1844.671 where: short stacking energy: -802.514 Base-Backbone interact. energy: -4.796 local terms energy: -861.234203 where: bonds (distance) C4'-P energy: -159.755 bonds (distance) P-C4' energy: -164.397 flat angles C4'-P-C4' energy: -175.583 flat angles P-C4'-P energy: -124.585 tors. eta vs tors. theta energy: -236.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2562.575631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.575631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.575631 (E_RNA) where: Base-Base interactions energy: -1777.887 where: short stacking energy: -749.530 Base-Backbone interact. energy: -4.396 local terms energy: -780.293223 where: bonds (distance) C4'-P energy: -151.536 bonds (distance) P-C4' energy: -149.165 flat angles C4'-P-C4' energy: -172.644 flat angles P-C4'-P energy: -105.177 tors. eta vs tors. theta energy: -201.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2544.868199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.868199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.868199 (E_RNA) where: Base-Base interactions energy: -1732.934 where: short stacking energy: -748.436 Base-Backbone interact. energy: 0.479 local terms energy: -812.413474 where: bonds (distance) C4'-P energy: -154.623 bonds (distance) P-C4' energy: -164.801 flat angles C4'-P-C4' energy: -173.760 flat angles P-C4'-P energy: -120.439 tors. eta vs tors. theta energy: -198.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2335.279029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.279029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.279029 (E_RNA) where: Base-Base interactions energy: -1599.635 where: short stacking energy: -698.564 Base-Backbone interact. energy: -1.920 local terms energy: -733.724282 where: bonds (distance) C4'-P energy: -149.340 bonds (distance) P-C4' energy: -143.421 flat angles C4'-P-C4' energy: -154.335 flat angles P-C4'-P energy: -107.078 tors. eta vs tors. theta energy: -179.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2172.485803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.485803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.485803 (E_RNA) where: Base-Base interactions energy: -1440.585 where: short stacking energy: -632.088 Base-Backbone interact. energy: -1.394 local terms energy: -730.507087 where: bonds (distance) C4'-P energy: -158.153 bonds (distance) P-C4' energy: -136.973 flat angles C4'-P-C4' energy: -171.908 flat angles P-C4'-P energy: -106.974 tors. eta vs tors. theta energy: -156.500 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: 5 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1884.289874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.289874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.289874 (E_RNA) where: Base-Base interactions energy: -1256.836 where: short stacking energy: -525.282 Base-Backbone interact. energy: -3.856 local terms energy: -623.597771 where: bonds (distance) C4'-P energy: -126.565 bonds (distance) P-C4' energy: -158.315 flat angles C4'-P-C4' energy: -132.326 flat angles P-C4'-P energy: -91.952 tors. eta vs tors. theta energy: -114.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1581.353944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.353944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.353944 (E_RNA) where: Base-Base interactions energy: -991.667 where: short stacking energy: -476.421 Base-Backbone interact. energy: 0.079 local terms energy: -589.766391 where: bonds (distance) C4'-P energy: -133.296 bonds (distance) P-C4' energy: -131.058 flat angles C4'-P-C4' energy: -138.218 flat angles P-C4'-P energy: -87.568 tors. eta vs tors. theta energy: -99.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1177.615363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.615363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.615363 (E_RNA) where: Base-Base interactions energy: -701.131 where: short stacking energy: -341.332 Base-Backbone interact. energy: 4.770 local terms energy: -481.255184 where: bonds (distance) C4'-P energy: -122.967 bonds (distance) P-C4' energy: -133.700 flat angles C4'-P-C4' energy: -106.497 flat angles P-C4'-P energy: -77.783 tors. eta vs tors. theta energy: -40.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1153.582817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.582817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.582817 (E_RNA) where: Base-Base interactions energy: -640.269 where: short stacking energy: -329.558 Base-Backbone interact. energy: 8.556 local terms energy: -521.869881 where: bonds (distance) C4'-P energy: -117.287 bonds (distance) P-C4' energy: -143.989 flat angles C4'-P-C4' energy: -145.244 flat angles P-C4'-P energy: -74.803 tors. eta vs tors. theta energy: -40.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -622.459499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.459499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.459499 (E_RNA) where: Base-Base interactions energy: -226.564 where: short stacking energy: -183.056 Base-Backbone interact. energy: 4.228 local terms energy: -400.123294 where: bonds (distance) C4'-P energy: -125.912 bonds (distance) P-C4' energy: -118.021 flat angles C4'-P-C4' energy: -113.493 flat angles P-C4'-P energy: -73.897 tors. eta vs tors. theta energy: 31.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2724.932591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.932591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.932591 (E_RNA) where: Base-Base interactions energy: -1845.506 where: short stacking energy: -816.057 Base-Backbone interact. energy: -0.881 local terms energy: -878.545617 where: bonds (distance) C4'-P energy: -172.082 bonds (distance) P-C4' energy: -158.607 flat angles C4'-P-C4' energy: -179.060 flat angles P-C4'-P energy: -126.373 tors. eta vs tors. theta energy: -242.423 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: 3 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2573.896826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.896826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.896826 (E_RNA) where: Base-Base interactions energy: -1771.175 where: short stacking energy: -766.937 Base-Backbone interact. energy: 3.405 local terms energy: -806.127470 where: bonds (distance) C4'-P energy: -167.186 bonds (distance) P-C4' energy: -151.659 flat angles C4'-P-C4' energy: -181.848 flat angles P-C4'-P energy: -101.428 tors. eta vs tors. theta energy: -204.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2496.594172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.594172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.594172 (E_RNA) where: Base-Base interactions energy: -1712.942 where: short stacking energy: -741.078 Base-Backbone interact. energy: -0.917 local terms energy: -782.735420 where: bonds (distance) C4'-P energy: -156.752 bonds (distance) P-C4' energy: -149.306 flat angles C4'-P-C4' energy: -178.151 flat angles P-C4'-P energy: -106.257 tors. eta vs tors. theta energy: -192.270 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: 9 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2351.486709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.486709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.486709 (E_RNA) where: Base-Base interactions energy: -1567.102 where: short stacking energy: -685.359 Base-Backbone interact. energy: 0.974 local terms energy: -785.358985 where: bonds (distance) C4'-P energy: -158.610 bonds (distance) P-C4' energy: -160.124 flat angles C4'-P-C4' energy: -169.718 flat angles P-C4'-P energy: -108.826 tors. eta vs tors. theta energy: -188.080 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: 4 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2166.785463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.785463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.785463 (E_RNA) where: Base-Base interactions energy: -1477.705 where: short stacking energy: -660.481 Base-Backbone interact. energy: -3.310 local terms energy: -685.770877 where: bonds (distance) C4'-P energy: -131.564 bonds (distance) P-C4' energy: -140.267 flat angles C4'-P-C4' energy: -167.302 flat angles P-C4'-P energy: -74.847 tors. eta vs tors. theta energy: -171.791 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: 5 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1935.933702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.933702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.933702 (E_RNA) where: Base-Base interactions energy: -1268.075 where: short stacking energy: -544.212 Base-Backbone interact. energy: 0.632 local terms energy: -668.490508 where: bonds (distance) C4'-P energy: -131.191 bonds (distance) P-C4' energy: -155.242 flat angles C4'-P-C4' energy: -159.399 flat angles P-C4'-P energy: -92.301 tors. eta vs tors. theta energy: -130.358 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: 7 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1649.158159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.158159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.158159 (E_RNA) where: Base-Base interactions energy: -1001.572 where: short stacking energy: -492.964 Base-Backbone interact. energy: -1.089 local terms energy: -646.497321 where: bonds (distance) C4'-P energy: -147.913 bonds (distance) P-C4' energy: -145.567 flat angles C4'-P-C4' energy: -148.323 flat angles P-C4'-P energy: -88.804 tors. eta vs tors. theta energy: -115.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1178.053138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.053138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.053138 (E_RNA) where: Base-Base interactions energy: -671.249 where: short stacking energy: -328.259 Base-Backbone interact. energy: 1.274 local terms energy: -508.078610 where: bonds (distance) C4'-P energy: -144.681 bonds (distance) P-C4' energy: -135.405 flat angles C4'-P-C4' energy: -127.635 flat angles P-C4'-P energy: -79.895 tors. eta vs tors. theta energy: -20.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1226.124881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.124881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.124881 (E_RNA) where: Base-Base interactions energy: -731.456 where: short stacking energy: -362.870 Base-Backbone interact. energy: -1.772 local terms energy: -492.897360 where: bonds (distance) C4'-P energy: -125.925 bonds (distance) P-C4' energy: -132.377 flat angles C4'-P-C4' energy: -138.594 flat angles P-C4'-P energy: -60.383 tors. eta vs tors. theta energy: -35.618 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: 10 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -623.946405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.946405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.946405 (E_RNA) where: Base-Base interactions energy: -222.475 where: short stacking energy: -166.642 Base-Backbone interact. energy: 2.630 local terms energy: -404.101585 where: bonds (distance) C4'-P energy: -121.410 bonds (distance) P-C4' energy: -148.201 flat angles C4'-P-C4' energy: -92.445 flat angles P-C4'-P energy: -58.710 tors. eta vs tors. theta energy: 16.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2749.072777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.072777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.072777 (E_RNA) where: Base-Base interactions energy: -1867.110 where: short stacking energy: -856.054 Base-Backbone interact. energy: -1.405 local terms energy: -880.557925 where: bonds (distance) C4'-P energy: -151.900 bonds (distance) P-C4' energy: -161.008 flat angles C4'-P-C4' energy: -188.578 flat angles P-C4'-P energy: -132.542 tors. eta vs tors. theta energy: -246.531 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: 3 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2612.517767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.517767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.517767 (E_RNA) where: Base-Base interactions energy: -1774.255 where: short stacking energy: -773.766 Base-Backbone interact. energy: -3.065 local terms energy: -835.197887 where: bonds (distance) C4'-P energy: -157.235 bonds (distance) P-C4' energy: -162.238 flat angles C4'-P-C4' energy: -183.742 flat angles P-C4'-P energy: -120.668 tors. eta vs tors. theta energy: -211.315 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: 2 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2501.820803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.820803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.820803 (E_RNA) where: Base-Base interactions energy: -1719.920 where: short stacking energy: -759.517 Base-Backbone interact. energy: 1.713 local terms energy: -783.614187 where: bonds (distance) C4'-P energy: -138.827 bonds (distance) P-C4' energy: -155.465 flat angles C4'-P-C4' energy: -177.943 flat angles P-C4'-P energy: -111.468 tors. eta vs tors. theta energy: -199.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2337.132249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.132249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.132249 (E_RNA) where: Base-Base interactions energy: -1577.494 where: short stacking energy: -709.485 Base-Backbone interact. energy: -0.092 local terms energy: -759.546424 where: bonds (distance) C4'-P energy: -151.113 bonds (distance) P-C4' energy: -135.696 flat angles C4'-P-C4' energy: -162.132 flat angles P-C4'-P energy: -117.535 tors. eta vs tors. theta energy: -193.070 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: 5, replica: 4 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2176.252849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.252849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.252849 (E_RNA) where: Base-Base interactions energy: -1471.837 where: short stacking energy: -619.841 Base-Backbone interact. energy: 4.888 local terms energy: -709.303853 where: bonds (distance) C4'-P energy: -132.113 bonds (distance) P-C4' energy: -150.253 flat angles C4'-P-C4' energy: -156.528 flat angles P-C4'-P energy: -106.647 tors. eta vs tors. theta energy: -163.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1858.332170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.332170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.332170 (E_RNA) where: Base-Base interactions energy: -1191.765 where: short stacking energy: -534.474 Base-Backbone interact. energy: 1.320 local terms energy: -667.887540 where: bonds (distance) C4'-P energy: -119.729 bonds (distance) P-C4' energy: -153.259 flat angles C4'-P-C4' energy: -169.569 flat angles P-C4'-P energy: -112.043 tors. eta vs tors. theta energy: -113.288 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: 7 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1573.784060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.784060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.784060 (E_RNA) where: Base-Base interactions energy: -986.871 where: short stacking energy: -450.455 Base-Backbone interact. energy: -3.894 local terms energy: -583.018824 where: bonds (distance) C4'-P energy: -134.442 bonds (distance) P-C4' energy: -134.824 flat angles C4'-P-C4' energy: -120.755 flat angles P-C4'-P energy: -98.887 tors. eta vs tors. theta energy: -94.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1357.848026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.848026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.848026 (E_RNA) where: Base-Base interactions energy: -796.018 where: short stacking energy: -363.021 Base-Backbone interact. energy: -2.226 local terms energy: -559.603883 where: bonds (distance) C4'-P energy: -157.522 bonds (distance) P-C4' energy: -130.774 flat angles C4'-P-C4' energy: -138.199 flat angles P-C4'-P energy: -82.186 tors. eta vs tors. theta energy: -50.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1121.916041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.916041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.916041 (E_RNA) where: Base-Base interactions energy: -649.944 where: short stacking energy: -308.281 Base-Backbone interact. energy: -0.530 local terms energy: -471.441434 where: bonds (distance) C4'-P energy: -109.277 bonds (distance) P-C4' energy: -142.231 flat angles C4'-P-C4' energy: -126.450 flat angles P-C4'-P energy: -77.812 tors. eta vs tors. theta energy: -15.672 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: 10, replica: 10 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -708.341375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.341375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.341375 (E_RNA) where: Base-Base interactions energy: -288.291 where: short stacking energy: -175.976 Base-Backbone interact. energy: -2.982 local terms energy: -417.068527 where: bonds (distance) C4'-P energy: -128.597 bonds (distance) P-C4' energy: -140.423 flat angles C4'-P-C4' energy: -125.728 flat angles P-C4'-P energy: -43.715 tors. eta vs tors. theta energy: 21.394 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: 1 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2716.506617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.506617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.506617 (E_RNA) where: Base-Base interactions energy: -1830.400 where: short stacking energy: -807.847 Base-Backbone interact. energy: -2.235 local terms energy: -883.871106 where: bonds (distance) C4'-P energy: -176.651 bonds (distance) P-C4' energy: -172.201 flat angles C4'-P-C4' energy: -202.286 flat angles P-C4'-P energy: -105.991 tors. eta vs tors. theta energy: -226.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2544.763943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.763943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.763943 (E_RNA) where: Base-Base interactions energy: -1743.862 where: short stacking energy: -737.016 Base-Backbone interact. energy: -5.222 local terms energy: -795.680430 where: bonds (distance) C4'-P energy: -134.774 bonds (distance) P-C4' energy: -175.673 flat angles C4'-P-C4' energy: -174.799 flat angles P-C4'-P energy: -121.260 tors. eta vs tors. theta energy: -189.174 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: 440 Temperature: 1.000000 Total energy: -2518.643869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.643869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.643869 (E_RNA) where: Base-Base interactions energy: -1735.497 where: short stacking energy: -741.542 Base-Backbone interact. energy: -0.695 local terms energy: -782.451473 where: bonds (distance) C4'-P energy: -146.046 bonds (distance) P-C4' energy: -155.423 flat angles C4'-P-C4' energy: -163.133 flat angles P-C4'-P energy: -112.897 tors. eta vs tors. theta energy: -204.952 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: 9 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2356.967200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.967200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.967200 (E_RNA) where: Base-Base interactions energy: -1589.864 where: short stacking energy: -703.165 Base-Backbone interact. energy: -2.859 local terms energy: -764.244147 where: bonds (distance) C4'-P energy: -142.497 bonds (distance) P-C4' energy: -148.579 flat angles C4'-P-C4' energy: -183.161 flat angles P-C4'-P energy: -101.128 tors. eta vs tors. theta energy: -188.879 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: 5, replica: 4 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2204.796800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.796800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.796800 (E_RNA) where: Base-Base interactions energy: -1492.580 where: short stacking energy: -645.306 Base-Backbone interact. energy: -5.772 local terms energy: -706.444692 where: bonds (distance) C4'-P energy: -121.594 bonds (distance) P-C4' energy: -145.934 flat angles C4'-P-C4' energy: -154.669 flat angles P-C4'-P energy: -114.866 tors. eta vs tors. theta energy: -169.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1819.215275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.215275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.215275 (E_RNA) where: Base-Base interactions energy: -1157.496 where: short stacking energy: -518.167 Base-Backbone interact. energy: -4.661 local terms energy: -657.058333 where: bonds (distance) C4'-P energy: -133.858 bonds (distance) P-C4' energy: -143.943 flat angles C4'-P-C4' energy: -153.028 flat angles P-C4'-P energy: -103.715 tors. eta vs tors. theta energy: -122.516 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: 7 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1590.133379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.133379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.133379 (E_RNA) where: Base-Base interactions energy: -976.674 where: short stacking energy: -471.156 Base-Backbone interact. energy: 0.543 local terms energy: -614.002857 where: bonds (distance) C4'-P energy: -146.163 bonds (distance) P-C4' energy: -147.136 flat angles C4'-P-C4' energy: -136.461 flat angles P-C4'-P energy: -87.734 tors. eta vs tors. theta energy: -96.509 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: 8 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1427.049225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.049225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.049225 (E_RNA) where: Base-Base interactions energy: -857.569 where: short stacking energy: -413.648 Base-Backbone interact. energy: 5.020 local terms energy: -574.501113 where: bonds (distance) C4'-P energy: -120.429 bonds (distance) P-C4' energy: -137.881 flat angles C4'-P-C4' energy: -153.667 flat angles P-C4'-P energy: -79.280 tors. eta vs tors. theta energy: -83.244 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: 6 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1140.721898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.721898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.721898 (E_RNA) where: Base-Base interactions energy: -628.809 where: short stacking energy: -325.322 Base-Backbone interact. energy: -2.293 local terms energy: -509.619498 where: bonds (distance) C4'-P energy: -125.660 bonds (distance) P-C4' energy: -133.865 flat angles C4'-P-C4' energy: -130.419 flat angles P-C4'-P energy: -85.417 tors. eta vs tors. theta energy: -34.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -689.463122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.463122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.463122 (E_RNA) where: Base-Base interactions energy: -272.187 where: short stacking energy: -199.681 Base-Backbone interact. energy: -3.045 local terms energy: -414.231025 where: bonds (distance) C4'-P energy: -113.504 bonds (distance) P-C4' energy: -131.495 flat angles C4'-P-C4' energy: -120.538 flat angles P-C4'-P energy: -66.663 tors. eta vs tors. theta energy: 17.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2727.947653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.947653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.947653 (E_RNA) where: Base-Base interactions energy: -1809.398 where: short stacking energy: -804.864 Base-Backbone interact. energy: -2.665 local terms energy: -915.884506 where: bonds (distance) C4'-P energy: -180.966 bonds (distance) P-C4' energy: -166.922 flat angles C4'-P-C4' energy: -190.830 flat angles P-C4'-P energy: -127.577 tors. eta vs tors. theta energy: -249.590 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: 2, replica: 3 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2558.951026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.951026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.951026 (E_RNA) where: Base-Base interactions energy: -1746.498 where: short stacking energy: -765.716 Base-Backbone interact. energy: -3.371 local terms energy: -809.081646 where: bonds (distance) C4'-P energy: -153.719 bonds (distance) P-C4' energy: -147.716 flat angles C4'-P-C4' energy: -181.036 flat angles P-C4'-P energy: -116.952 tors. eta vs tors. theta energy: -209.659 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: 2 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2508.264534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.264534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.264534 (E_RNA) where: Base-Base interactions energy: -1735.274 where: short stacking energy: -779.862 Base-Backbone interact. energy: -2.741 local terms energy: -770.249500 where: bonds (distance) C4'-P energy: -135.985 bonds (distance) P-C4' energy: -145.672 flat angles C4'-P-C4' energy: -164.805 flat angles P-C4'-P energy: -111.256 tors. eta vs tors. theta energy: -212.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2346.592261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.592261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.592261 (E_RNA) where: Base-Base interactions energy: -1594.318 where: short stacking energy: -693.003 Base-Backbone interact. energy: -1.210 local terms energy: -751.064812 where: bonds (distance) C4'-P energy: -129.892 bonds (distance) P-C4' energy: -147.492 flat angles C4'-P-C4' energy: -175.619 flat angles P-C4'-P energy: -104.734 tors. eta vs tors. theta energy: -193.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2209.485203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.485203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.485203 (E_RNA) where: Base-Base interactions energy: -1504.415 where: short stacking energy: -652.290 Base-Backbone interact. energy: -3.492 local terms energy: -701.578801 where: bonds (distance) C4'-P energy: -141.265 bonds (distance) P-C4' energy: -138.535 flat angles C4'-P-C4' energy: -155.761 flat angles P-C4'-P energy: -103.485 tors. eta vs tors. theta energy: -162.533 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: 6, replica: 5 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1826.082855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.082855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.082855 (E_RNA) where: Base-Base interactions energy: -1208.029 where: short stacking energy: -557.694 Base-Backbone interact. energy: 0.001 local terms energy: -618.055204 where: bonds (distance) C4'-P energy: -141.688 bonds (distance) P-C4' energy: -128.601 flat angles C4'-P-C4' energy: -125.341 flat angles P-C4'-P energy: -84.190 tors. eta vs tors. theta energy: -138.234 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: 7 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1665.550007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.550007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.550007 (E_RNA) where: Base-Base interactions energy: -1049.547 where: short stacking energy: -478.960 Base-Backbone interact. energy: -1.259 local terms energy: -614.743954 where: bonds (distance) C4'-P energy: -131.229 bonds (distance) P-C4' energy: -149.011 flat angles C4'-P-C4' energy: -156.989 flat angles P-C4'-P energy: -82.945 tors. eta vs tors. theta energy: -94.569 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: 8, replica: 8 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1434.318206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.318206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.318206 (E_RNA) where: Base-Base interactions energy: -865.330 where: short stacking energy: -407.112 Base-Backbone interact. energy: 0.541 local terms energy: -569.529129 where: bonds (distance) C4'-P energy: -135.516 bonds (distance) P-C4' energy: -134.371 flat angles C4'-P-C4' energy: -137.847 flat angles P-C4'-P energy: -80.743 tors. eta vs tors. theta energy: -81.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1078.774799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.774799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.774799 (E_RNA) where: Base-Base interactions energy: -616.364 where: short stacking energy: -302.321 Base-Backbone interact. energy: 1.669 local terms energy: -464.080308 where: bonds (distance) C4'-P energy: -111.217 bonds (distance) P-C4' energy: -141.940 flat angles C4'-P-C4' energy: -113.212 flat angles P-C4'-P energy: -63.577 tors. eta vs tors. theta energy: -34.135 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: 10 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -687.791407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.791407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.791407 (E_RNA) where: Base-Base interactions energy: -281.392 where: short stacking energy: -198.456 Base-Backbone interact. energy: 12.591 local terms energy: -418.990172 where: bonds (distance) C4'-P energy: -140.429 bonds (distance) P-C4' energy: -132.159 flat angles C4'-P-C4' energy: -108.387 flat angles P-C4'-P energy: -63.308 tors. eta vs tors. theta energy: 25.294 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: 1 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -2717.045331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.045331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.045331 (E_RNA) where: Base-Base interactions energy: -1869.278 where: short stacking energy: -830.998 Base-Backbone interact. energy: -3.257 local terms energy: -844.510752 where: bonds (distance) C4'-P energy: -158.587 bonds (distance) P-C4' energy: -160.553 flat angles C4'-P-C4' energy: -191.786 flat angles P-C4'-P energy: -106.102 tors. eta vs tors. theta energy: -227.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2577.978858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.978858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.978858 (E_RNA) where: Base-Base interactions energy: -1759.755 where: short stacking energy: -768.262 Base-Backbone interact. energy: -2.524 local terms energy: -815.700616 where: bonds (distance) C4'-P energy: -157.590 bonds (distance) P-C4' energy: -154.170 flat angles C4'-P-C4' energy: -174.711 flat angles P-C4'-P energy: -124.824 tors. eta vs tors. theta energy: -204.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2476.372448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.372448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.372448 (E_RNA) where: Base-Base interactions energy: -1689.021 where: short stacking energy: -717.520 Base-Backbone interact. energy: -5.973 local terms energy: -781.377920 where: bonds (distance) C4'-P energy: -142.782 bonds (distance) P-C4' energy: -166.968 flat angles C4'-P-C4' energy: -172.604 flat angles P-C4'-P energy: -107.158 tors. eta vs tors. theta energy: -191.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2375.246557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.246557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.246557 (E_RNA) where: Base-Base interactions energy: -1627.396 where: short stacking energy: -696.515 Base-Backbone interact. energy: -2.317 local terms energy: -745.533288 where: bonds (distance) C4'-P energy: -119.350 bonds (distance) P-C4' energy: -148.695 flat angles C4'-P-C4' energy: -164.936 flat angles P-C4'-P energy: -112.211 tors. eta vs tors. theta energy: -200.342 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: 5, replica: 4 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2170.383016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.383016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.383016 (E_RNA) where: Base-Base interactions energy: -1468.700 where: short stacking energy: -658.925 Base-Backbone interact. energy: -5.089 local terms energy: -696.594829 where: bonds (distance) C4'-P energy: -140.650 bonds (distance) P-C4' energy: -140.940 flat angles C4'-P-C4' energy: -156.076 flat angles P-C4'-P energy: -92.615 tors. eta vs tors. theta energy: -166.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1826.357872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.357872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.357872 (E_RNA) where: Base-Base interactions energy: -1176.747 where: short stacking energy: -541.681 Base-Backbone interact. energy: -0.611 local terms energy: -649.000835 where: bonds (distance) C4'-P energy: -133.214 bonds (distance) P-C4' energy: -132.592 flat angles C4'-P-C4' energy: -158.308 flat angles P-C4'-P energy: -90.810 tors. eta vs tors. theta energy: -134.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1685.743764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.743764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.743764 (E_RNA) where: Base-Base interactions energy: -1131.112 where: short stacking energy: -521.670 Base-Backbone interact. energy: 5.998 local terms energy: -560.629973 where: bonds (distance) C4'-P energy: -103.321 bonds (distance) P-C4' energy: -130.475 flat angles C4'-P-C4' energy: -156.926 flat angles P-C4'-P energy: -63.860 tors. eta vs tors. theta energy: -106.048 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: 8 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1474.534970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.534970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.534970 (E_RNA) where: Base-Base interactions energy: -899.773 where: short stacking energy: -428.160 Base-Backbone interact. energy: -1.419 local terms energy: -573.342040 where: bonds (distance) C4'-P energy: -128.767 bonds (distance) P-C4' energy: -149.059 flat angles C4'-P-C4' energy: -135.313 flat angles P-C4'-P energy: -92.692 tors. eta vs tors. theta energy: -67.510 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: 6 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1084.855811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.855811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.855811 (E_RNA) where: Base-Base interactions energy: -618.879 where: short stacking energy: -321.410 Base-Backbone interact. energy: 1.302 local terms energy: -467.278822 where: bonds (distance) C4'-P energy: -124.440 bonds (distance) P-C4' energy: -133.019 flat angles C4'-P-C4' energy: -133.802 flat angles P-C4'-P energy: -63.416 tors. eta vs tors. theta energy: -12.602 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: 10 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -690.938700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.938700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.938700 (E_RNA) where: Base-Base interactions energy: -245.294 where: short stacking energy: -176.293 Base-Backbone interact. energy: -1.099 local terms energy: -444.545321 where: bonds (distance) C4'-P energy: -119.522 bonds (distance) P-C4' energy: -133.046 flat angles C4'-P-C4' energy: -112.604 flat angles P-C4'-P energy: -85.090 tors. eta vs tors. theta energy: 5.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2715.882102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.882102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.882102 (E_RNA) where: Base-Base interactions energy: -1842.185 where: short stacking energy: -850.282 Base-Backbone interact. energy: -4.451 local terms energy: -869.246027 where: bonds (distance) C4'-P energy: -164.748 bonds (distance) P-C4' energy: -158.269 flat angles C4'-P-C4' energy: -183.015 flat angles P-C4'-P energy: -127.849 tors. eta vs tors. theta energy: -235.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2627.277643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.277643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.277643 (E_RNA) where: Base-Base interactions energy: -1823.883 where: short stacking energy: -750.487 Base-Backbone interact. energy: -7.183 local terms energy: -796.211767 where: bonds (distance) C4'-P energy: -143.309 bonds (distance) P-C4' energy: -164.363 flat angles C4'-P-C4' energy: -163.442 flat angles P-C4'-P energy: -128.419 tors. eta vs tors. theta energy: -196.679 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: 3, replica: 2 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2465.873203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.873203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.873203 (E_RNA) where: Base-Base interactions energy: -1683.383 where: short stacking energy: -747.942 Base-Backbone interact. energy: -3.741 local terms energy: -778.748581 where: bonds (distance) C4'-P energy: -145.711 bonds (distance) P-C4' energy: -147.882 flat angles C4'-P-C4' energy: -162.698 flat angles P-C4'-P energy: -129.474 tors. eta vs tors. theta energy: -192.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2368.764424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.764424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.764424 (E_RNA) where: Base-Base interactions energy: -1617.926 where: short stacking energy: -714.045 Base-Backbone interact. energy: -1.462 local terms energy: -749.377153 where: bonds (distance) C4'-P energy: -140.644 bonds (distance) P-C4' energy: -156.254 flat angles C4'-P-C4' energy: -160.136 flat angles P-C4'-P energy: -99.915 tors. eta vs tors. theta energy: -192.427 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: 5, replica: 4 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2157.446536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.446536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.446536 (E_RNA) where: Base-Base interactions energy: -1450.555 where: short stacking energy: -608.215 Base-Backbone interact. energy: -1.120 local terms energy: -705.771609 where: bonds (distance) C4'-P energy: -126.856 bonds (distance) P-C4' energy: -151.738 flat angles C4'-P-C4' energy: -150.749 flat angles P-C4'-P energy: -109.130 tors. eta vs tors. theta energy: -167.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1845.969981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.969981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.969981 (E_RNA) where: Base-Base interactions energy: -1200.883 where: short stacking energy: -532.416 Base-Backbone interact. energy: -2.008 local terms energy: -643.078534 where: bonds (distance) C4'-P energy: -122.925 bonds (distance) P-C4' energy: -137.275 flat angles C4'-P-C4' energy: -158.996 flat angles P-C4'-P energy: -96.994 tors. eta vs tors. theta energy: -126.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1714.390636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.390636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.390636 (E_RNA) where: Base-Base interactions energy: -1080.667 where: short stacking energy: -507.855 Base-Backbone interact. energy: 0.158 local terms energy: -633.881879 where: bonds (distance) C4'-P energy: -140.819 bonds (distance) P-C4' energy: -132.601 flat angles C4'-P-C4' energy: -149.388 flat angles P-C4'-P energy: -93.558 tors. eta vs tors. theta energy: -117.516 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: 8 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1486.020870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.020870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.020870 (E_RNA) where: Base-Base interactions energy: -909.625 where: short stacking energy: -444.636 Base-Backbone interact. energy: -4.332 local terms energy: -572.064350 where: bonds (distance) C4'-P energy: -137.379 bonds (distance) P-C4' energy: -126.811 flat angles C4'-P-C4' energy: -147.926 flat angles P-C4'-P energy: -75.827 tors. eta vs tors. theta energy: -84.122 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: 9, replica: 6 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1070.142721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.142721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.142721 (E_RNA) where: Base-Base interactions energy: -647.398 where: short stacking energy: -321.139 Base-Backbone interact. energy: 4.486 local terms energy: -427.230426 where: bonds (distance) C4'-P energy: -118.686 bonds (distance) P-C4' energy: -137.731 flat angles C4'-P-C4' energy: -110.540 flat angles P-C4'-P energy: -46.222 tors. eta vs tors. theta energy: -14.051 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: 10, replica: 10 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -687.685832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.685832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.685832 (E_RNA) where: Base-Base interactions energy: -293.383 where: short stacking energy: -219.768 Base-Backbone interact. energy: 0.180 local terms energy: -394.483207 where: bonds (distance) C4'-P energy: -118.305 bonds (distance) P-C4' energy: -139.230 flat angles C4'-P-C4' energy: -82.671 flat angles P-C4'-P energy: -53.594 tors. eta vs tors. theta energy: -0.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2729.481917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.481917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.481917 (E_RNA) where: Base-Base interactions energy: -1878.807 where: short stacking energy: -804.684 Base-Backbone interact. energy: -1.696 local terms energy: -848.979205 where: bonds (distance) C4'-P energy: -135.730 bonds (distance) P-C4' energy: -163.149 flat angles C4'-P-C4' energy: -189.900 flat angles P-C4'-P energy: -135.400 tors. eta vs tors. theta energy: -224.800 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: 3 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2601.778598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.778598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.778598 (E_RNA) where: Base-Base interactions energy: -1784.370 where: short stacking energy: -750.414 Base-Backbone interact. energy: -3.774 local terms energy: -813.634279 where: bonds (distance) C4'-P energy: -157.667 bonds (distance) P-C4' energy: -151.616 flat angles C4'-P-C4' energy: -171.382 flat angles P-C4'-P energy: -126.711 tors. eta vs tors. theta energy: -206.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2468.301315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.301315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.301315 (E_RNA) where: Base-Base interactions energy: -1690.289 where: short stacking energy: -744.945 Base-Backbone interact. energy: -2.556 local terms energy: -775.456491 where: bonds (distance) C4'-P energy: -140.997 bonds (distance) P-C4' energy: -146.019 flat angles C4'-P-C4' energy: -172.304 flat angles P-C4'-P energy: -113.387 tors. eta vs tors. theta energy: -202.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2361.713262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.713262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.713262 (E_RNA) where: Base-Base interactions energy: -1618.252 where: short stacking energy: -684.557 Base-Backbone interact. energy: -4.370 local terms energy: -739.090413 where: bonds (distance) C4'-P energy: -137.589 bonds (distance) P-C4' energy: -159.828 flat angles C4'-P-C4' energy: -170.525 flat angles P-C4'-P energy: -104.936 tors. eta vs tors. theta energy: -166.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2238.985821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.985821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.985821 (E_RNA) where: Base-Base interactions energy: -1510.588 where: short stacking energy: -670.176 Base-Backbone interact. energy: 1.744 local terms energy: -730.141485 where: bonds (distance) C4'-P energy: -133.441 bonds (distance) P-C4' energy: -145.499 flat angles C4'-P-C4' energy: -176.916 flat angles P-C4'-P energy: -96.366 tors. eta vs tors. theta energy: -177.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1883.319098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.319098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.319098 (E_RNA) where: Base-Base interactions energy: -1223.195 where: short stacking energy: -556.590 Base-Backbone interact. energy: -1.450 local terms energy: -658.673560 where: bonds (distance) C4'-P energy: -135.429 bonds (distance) P-C4' energy: -145.205 flat angles C4'-P-C4' energy: -165.052 flat angles P-C4'-P energy: -80.181 tors. eta vs tors. theta energy: -132.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1709.114099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.114099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.114099 (E_RNA) where: Base-Base interactions energy: -1086.450 where: short stacking energy: -538.683 Base-Backbone interact. energy: 1.116 local terms energy: -623.780190 where: bonds (distance) C4'-P energy: -125.121 bonds (distance) P-C4' energy: -149.887 flat angles C4'-P-C4' energy: -133.477 flat angles P-C4'-P energy: -97.748 tors. eta vs tors. theta energy: -117.546 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: 8 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1458.548160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.548160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.548160 (E_RNA) where: Base-Base interactions energy: -900.919 where: short stacking energy: -424.915 Base-Backbone interact. energy: 1.342 local terms energy: -558.970636 where: bonds (distance) C4'-P energy: -131.347 bonds (distance) P-C4' energy: -121.004 flat angles C4'-P-C4' energy: -141.149 flat angles P-C4'-P energy: -84.690 tors. eta vs tors. theta energy: -80.780 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: 6 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1084.775087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.775087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.775087 (E_RNA) where: Base-Base interactions energy: -610.968 where: short stacking energy: -309.573 Base-Backbone interact. energy: 6.371 local terms energy: -480.178563 where: bonds (distance) C4'-P energy: -131.308 bonds (distance) P-C4' energy: -145.427 flat angles C4'-P-C4' energy: -118.568 flat angles P-C4'-P energy: -66.112 tors. eta vs tors. theta energy: -18.764 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: 10 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -697.138257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.138257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.138257 (E_RNA) where: Base-Base interactions energy: -285.910 where: short stacking energy: -215.744 Base-Backbone interact. energy: -1.835 local terms energy: -409.393066 where: bonds (distance) C4'-P energy: -98.251 bonds (distance) P-C4' energy: -148.455 flat angles C4'-P-C4' energy: -105.049 flat angles P-C4'-P energy: -61.101 tors. eta vs tors. theta energy: 3.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2700.092339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.092339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.092339 (E_RNA) where: Base-Base interactions energy: -1831.775 where: short stacking energy: -803.994 Base-Backbone interact. energy: 1.403 local terms energy: -869.719709 where: bonds (distance) C4'-P energy: -167.960 bonds (distance) P-C4' energy: -165.651 flat angles C4'-P-C4' energy: -171.436 flat angles P-C4'-P energy: -130.223 tors. eta vs tors. theta energy: -234.449 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: 3 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2618.464545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.464545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.464545 (E_RNA) where: Base-Base interactions energy: -1785.413 where: short stacking energy: -777.055 Base-Backbone interact. energy: -2.703 local terms energy: -830.348539 where: bonds (distance) C4'-P energy: -166.276 bonds (distance) P-C4' energy: -158.510 flat angles C4'-P-C4' energy: -166.651 flat angles P-C4'-P energy: -123.202 tors. eta vs tors. theta energy: -215.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2470.097283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.097283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.097283 (E_RNA) where: Base-Base interactions energy: -1668.016 where: short stacking energy: -729.527 Base-Backbone interact. energy: -4.258 local terms energy: -797.823756 where: bonds (distance) C4'-P energy: -154.317 bonds (distance) P-C4' energy: -148.664 flat angles C4'-P-C4' energy: -178.748 flat angles P-C4'-P energy: -113.567 tors. eta vs tors. theta energy: -202.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2331.250181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.250181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.250181 (E_RNA) where: Base-Base interactions energy: -1601.811 where: short stacking energy: -691.413 Base-Backbone interact. energy: -3.095 local terms energy: -726.344055 where: bonds (distance) C4'-P energy: -143.251 bonds (distance) P-C4' energy: -143.825 flat angles C4'-P-C4' energy: -159.584 flat angles P-C4'-P energy: -104.589 tors. eta vs tors. theta energy: -175.095 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: 445 Temperature: 1.100000 Total energy: -2235.836190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.836190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.836190 (E_RNA) where: Base-Base interactions energy: -1474.182 where: short stacking energy: -655.760 Base-Backbone interact. energy: -3.869 local terms energy: -757.784345 where: bonds (distance) C4'-P energy: -135.603 bonds (distance) P-C4' energy: -153.379 flat angles C4'-P-C4' energy: -169.196 flat angles P-C4'-P energy: -114.903 tors. eta vs tors. theta energy: -184.704 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: 5 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1878.707642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.707642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.707642 (E_RNA) where: Base-Base interactions energy: -1216.217 where: short stacking energy: -546.129 Base-Backbone interact. energy: -1.132 local terms energy: -661.358724 where: bonds (distance) C4'-P energy: -147.021 bonds (distance) P-C4' energy: -156.279 flat angles C4'-P-C4' energy: -140.056 flat angles P-C4'-P energy: -80.565 tors. eta vs tors. theta energy: -137.438 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: 7 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1697.059599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.059599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.059599 (E_RNA) where: Base-Base interactions energy: -1089.281 where: short stacking energy: -516.138 Base-Backbone interact. energy: 5.481 local terms energy: -613.258952 where: bonds (distance) C4'-P energy: -116.196 bonds (distance) P-C4' energy: -154.994 flat angles C4'-P-C4' energy: -127.782 flat angles P-C4'-P energy: -96.786 tors. eta vs tors. theta energy: -117.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1356.159368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.159368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.159368 (E_RNA) where: Base-Base interactions energy: -803.789 where: short stacking energy: -378.505 Base-Backbone interact. energy: -2.178 local terms energy: -550.192669 where: bonds (distance) C4'-P energy: -150.400 bonds (distance) P-C4' energy: -125.698 flat angles C4'-P-C4' energy: -146.348 flat angles P-C4'-P energy: -80.705 tors. eta vs tors. theta energy: -47.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -1052.154608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.154608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.154608 (E_RNA) where: Base-Base interactions energy: -553.050 where: short stacking energy: -309.383 Base-Backbone interact. energy: 0.794 local terms energy: -499.897989 where: bonds (distance) C4'-P energy: -134.057 bonds (distance) P-C4' energy: -136.947 flat angles C4'-P-C4' energy: -129.897 flat angles P-C4'-P energy: -75.206 tors. eta vs tors. theta energy: -23.791 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: 10 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -600.748463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.748463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.748463 (E_RNA) where: Base-Base interactions energy: -227.901 where: short stacking energy: -203.675 Base-Backbone interact. energy: -0.431 local terms energy: -372.416461 where: bonds (distance) C4'-P energy: -106.126 bonds (distance) P-C4' energy: -135.079 flat angles C4'-P-C4' energy: -102.669 flat angles P-C4'-P energy: -46.555 tors. eta vs tors. theta energy: 18.012 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: 446 Temperature: 0.900000 Total energy: -2677.540383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.540383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.540383 (E_RNA) where: Base-Base interactions energy: -1847.231 where: short stacking energy: -794.168 Base-Backbone interact. energy: -2.397 local terms energy: -827.911588 where: bonds (distance) C4'-P energy: -150.831 bonds (distance) P-C4' energy: -148.641 flat angles C4'-P-C4' energy: -182.891 flat angles P-C4'-P energy: -121.393 tors. eta vs tors. theta energy: -224.156 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: 1 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2660.561531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.561531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.561531 (E_RNA) where: Base-Base interactions energy: -1816.069 where: short stacking energy: -795.184 Base-Backbone interact. energy: -1.306 local terms energy: -843.186506 where: bonds (distance) C4'-P energy: -167.112 bonds (distance) P-C4' energy: -163.579 flat angles C4'-P-C4' energy: -174.862 flat angles P-C4'-P energy: -118.691 tors. eta vs tors. theta energy: -218.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2531.117368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.117368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.117368 (E_RNA) where: Base-Base interactions energy: -1734.374 where: short stacking energy: -772.496 Base-Backbone interact. energy: -1.646 local terms energy: -795.096926 where: bonds (distance) C4'-P energy: -126.942 bonds (distance) P-C4' energy: -145.608 flat angles C4'-P-C4' energy: -181.755 flat angles P-C4'-P energy: -115.646 tors. eta vs tors. theta energy: -225.146 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: 4, replica: 9 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2358.408570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.408570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.408570 (E_RNA) where: Base-Base interactions energy: -1589.666 where: short stacking energy: -712.633 Base-Backbone interact. energy: 2.409 local terms energy: -771.151823 where: bonds (distance) C4'-P energy: -159.894 bonds (distance) P-C4' energy: -143.790 flat angles C4'-P-C4' energy: -168.801 flat angles P-C4'-P energy: -117.649 tors. eta vs tors. theta energy: -181.018 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: 4 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2224.755188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.755188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.755188 (E_RNA) where: Base-Base interactions energy: -1478.707 where: short stacking energy: -626.980 Base-Backbone interact. energy: -1.602 local terms energy: -744.446088 where: bonds (distance) C4'-P energy: -151.849 bonds (distance) P-C4' energy: -131.736 flat angles C4'-P-C4' energy: -176.791 flat angles P-C4'-P energy: -106.339 tors. eta vs tors. theta energy: -177.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1895.338915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.338915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.338915 (E_RNA) where: Base-Base interactions energy: -1241.054 where: short stacking energy: -518.622 Base-Backbone interact. energy: -3.199 local terms energy: -651.086051 where: bonds (distance) C4'-P energy: -119.021 bonds (distance) P-C4' energy: -153.848 flat angles C4'-P-C4' energy: -142.229 flat angles P-C4'-P energy: -94.839 tors. eta vs tors. theta energy: -141.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1675.076815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.076815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.076815 (E_RNA) where: Base-Base interactions energy: -1074.862 where: short stacking energy: -498.427 Base-Backbone interact. energy: -2.412 local terms energy: -597.802324 where: bonds (distance) C4'-P energy: -135.022 bonds (distance) P-C4' energy: -131.677 flat angles C4'-P-C4' energy: -119.950 flat angles P-C4'-P energy: -104.920 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: 8, replica: 8 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1254.311162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.311162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.311162 (E_RNA) where: Base-Base interactions energy: -725.964 where: short stacking energy: -358.195 Base-Backbone interact. energy: 0.680 local terms energy: -529.026215 where: bonds (distance) C4'-P energy: -133.054 bonds (distance) P-C4' energy: -141.489 flat angles C4'-P-C4' energy: -130.254 flat angles P-C4'-P energy: -75.957 tors. eta vs tors. theta energy: -48.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -996.020237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.020237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.020237 (E_RNA) where: Base-Base interactions energy: -524.243 where: short stacking energy: -309.060 Base-Backbone interact. energy: 3.079 local terms energy: -474.856144 where: bonds (distance) C4'-P energy: -119.387 bonds (distance) P-C4' energy: -131.299 flat angles C4'-P-C4' energy: -126.423 flat angles P-C4'-P energy: -72.238 tors. eta vs tors. theta energy: -25.510 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: 10 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -616.357547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.357547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.357547 (E_RNA) where: Base-Base interactions energy: -228.504 where: short stacking energy: -182.117 Base-Backbone interact. energy: 8.129 local terms energy: -395.982688 where: bonds (distance) C4'-P energy: -112.593 bonds (distance) P-C4' energy: -142.392 flat angles C4'-P-C4' energy: -89.317 flat angles P-C4'-P energy: -73.381 tors. eta vs tors. theta energy: 21.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -2691.145850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.145850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.145850 (E_RNA) where: Base-Base interactions energy: -1842.778 where: short stacking energy: -789.451 Base-Backbone interact. energy: -2.620 local terms energy: -845.748229 where: bonds (distance) C4'-P energy: -156.055 bonds (distance) P-C4' energy: -164.944 flat angles C4'-P-C4' energy: -182.334 flat angles P-C4'-P energy: -128.979 tors. eta vs tors. theta energy: -213.436 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: 2, replica: 1 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2637.523485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.523485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.523485 (E_RNA) where: Base-Base interactions energy: -1796.437 where: short stacking energy: -789.512 Base-Backbone interact. energy: -3.644 local terms energy: -837.441706 where: bonds (distance) C4'-P energy: -161.397 bonds (distance) P-C4' energy: -153.365 flat angles C4'-P-C4' energy: -185.776 flat angles P-C4'-P energy: -122.299 tors. eta vs tors. theta energy: -214.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2464.178768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.178768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.178768 (E_RNA) where: Base-Base interactions energy: -1666.189 where: short stacking energy: -751.019 Base-Backbone interact. energy: -0.985 local terms energy: -797.004670 where: bonds (distance) C4'-P energy: -143.095 bonds (distance) P-C4' energy: -158.187 flat angles C4'-P-C4' energy: -166.360 flat angles P-C4'-P energy: -128.802 tors. eta vs tors. theta energy: -200.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2359.362087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.362087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.362087 (E_RNA) where: Base-Base interactions energy: -1603.644 where: short stacking energy: -675.156 Base-Backbone interact. energy: 0.129 local terms energy: -755.847197 where: bonds (distance) C4'-P energy: -151.641 bonds (distance) P-C4' energy: -170.566 flat angles C4'-P-C4' energy: -151.351 flat angles P-C4'-P energy: -102.516 tors. eta vs tors. theta energy: -179.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2204.114612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.114612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.114612 (E_RNA) where: Base-Base interactions energy: -1468.607 where: short stacking energy: -631.891 Base-Backbone interact. energy: -4.415 local terms energy: -731.091855 where: bonds (distance) C4'-P energy: -143.536 bonds (distance) P-C4' energy: -165.489 flat angles C4'-P-C4' energy: -157.934 flat angles P-C4'-P energy: -106.952 tors. eta vs tors. theta energy: -157.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1933.405953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.405953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.405953 (E_RNA) where: Base-Base interactions energy: -1271.999 where: short stacking energy: -567.074 Base-Backbone interact. energy: -2.177 local terms energy: -659.229656 where: bonds (distance) C4'-P energy: -141.364 bonds (distance) P-C4' energy: -131.771 flat angles C4'-P-C4' energy: -149.249 flat angles P-C4'-P energy: -95.295 tors. eta vs tors. theta energy: -141.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1661.974362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.974362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.974362 (E_RNA) where: Base-Base interactions energy: -1043.867 where: short stacking energy: -495.530 Base-Backbone interact. energy: 3.836 local terms energy: -621.943343 where: bonds (distance) C4'-P energy: -149.132 bonds (distance) P-C4' energy: -153.150 flat angles C4'-P-C4' energy: -131.895 flat angles P-C4'-P energy: -79.809 tors. eta vs tors. theta energy: -107.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1231.083261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.083261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.083261 (E_RNA) where: Base-Base interactions energy: -688.048 where: short stacking energy: -344.981 Base-Backbone interact. energy: -1.149 local terms energy: -541.886849 where: bonds (distance) C4'-P energy: -122.377 bonds (distance) P-C4' energy: -142.464 flat angles C4'-P-C4' energy: -138.406 flat angles P-C4'-P energy: -88.604 tors. eta vs tors. theta energy: -50.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1068.363252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.363252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.363252 (E_RNA) where: Base-Base interactions energy: -570.185 where: short stacking energy: -283.492 Base-Backbone interact. energy: 5.970 local terms energy: -504.148536 where: bonds (distance) C4'-P energy: -136.526 bonds (distance) P-C4' energy: -141.089 flat angles C4'-P-C4' energy: -123.329 flat angles P-C4'-P energy: -88.772 tors. eta vs tors. theta energy: -14.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -613.749012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.749012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.749012 (E_RNA) where: Base-Base interactions energy: -204.498 where: short stacking energy: -194.048 Base-Backbone interact. energy: 1.444 local terms energy: -410.695933 where: bonds (distance) C4'-P energy: -135.016 bonds (distance) P-C4' energy: -137.088 flat angles C4'-P-C4' energy: -93.122 flat angles P-C4'-P energy: -64.596 tors. eta vs tors. theta energy: 19.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -2689.874409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.874409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.874409 (E_RNA) where: Base-Base interactions energy: -1858.272 where: short stacking energy: -770.474 Base-Backbone interact. energy: -4.427 local terms energy: -827.174848 where: bonds (distance) C4'-P energy: -179.908 bonds (distance) P-C4' energy: -148.509 flat angles C4'-P-C4' energy: -169.534 flat angles P-C4'-P energy: -121.097 tors. eta vs tors. theta energy: -208.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2679.835235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.835235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.835235 (E_RNA) where: Base-Base interactions energy: -1817.684 where: short stacking energy: -821.214 Base-Backbone interact. energy: -4.804 local terms energy: -857.347445 where: bonds (distance) C4'-P energy: -165.592 bonds (distance) P-C4' energy: -152.582 flat angles C4'-P-C4' energy: -180.519 flat angles P-C4'-P energy: -124.066 tors. eta vs tors. theta energy: -234.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2443.318163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.318163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.318163 (E_RNA) where: Base-Base interactions energy: -1644.271 where: short stacking energy: -730.078 Base-Backbone interact. energy: -3.944 local terms energy: -795.102688 where: bonds (distance) C4'-P energy: -153.158 bonds (distance) P-C4' energy: -159.099 flat angles C4'-P-C4' energy: -167.416 flat angles P-C4'-P energy: -115.956 tors. eta vs tors. theta energy: -199.474 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: 9 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2296.715316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.715316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.715316 (E_RNA) where: Base-Base interactions energy: -1551.248 where: short stacking energy: -653.879 Base-Backbone interact. energy: 1.091 local terms energy: -746.558180 where: bonds (distance) C4'-P energy: -164.147 bonds (distance) P-C4' energy: -149.276 flat angles C4'-P-C4' energy: -166.997 flat angles P-C4'-P energy: -97.350 tors. eta vs tors. theta energy: -168.787 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: 448 Temperature: 1.100000 Total energy: -2194.957280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.957280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.957280 (E_RNA) where: Base-Base interactions energy: -1474.024 where: short stacking energy: -632.776 Base-Backbone interact. energy: -3.596 local terms energy: -717.337029 where: bonds (distance) C4'-P energy: -148.196 bonds (distance) P-C4' energy: -153.973 flat angles C4'-P-C4' energy: -151.983 flat angles P-C4'-P energy: -94.080 tors. eta vs tors. theta energy: -169.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1823.353675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.353675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.353675 (E_RNA) where: Base-Base interactions energy: -1155.212 where: short stacking energy: -530.740 Base-Backbone interact. energy: -3.096 local terms energy: -665.045649 where: bonds (distance) C4'-P energy: -131.548 bonds (distance) P-C4' energy: -164.021 flat angles C4'-P-C4' energy: -148.119 flat angles P-C4'-P energy: -90.235 tors. eta vs tors. theta energy: -131.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1626.438424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.438424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.438424 (E_RNA) where: Base-Base interactions energy: -993.074 where: short stacking energy: -480.549 Base-Backbone interact. energy: -2.358 local terms energy: -631.006433 where: bonds (distance) C4'-P energy: -132.470 bonds (distance) P-C4' energy: -152.225 flat angles C4'-P-C4' energy: -137.403 flat angles P-C4'-P energy: -102.766 tors. eta vs tors. theta energy: -106.142 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: 8, replica: 8 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1257.477920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.477920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.477920 (E_RNA) where: Base-Base interactions energy: -725.229 where: short stacking energy: -370.568 Base-Backbone interact. energy: 0.012 local terms energy: -532.261168 where: bonds (distance) C4'-P energy: -129.705 bonds (distance) P-C4' energy: -136.931 flat angles C4'-P-C4' energy: -140.437 flat angles P-C4'-P energy: -80.616 tors. eta vs tors. theta energy: -44.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1087.813506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.813506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.813506 (E_RNA) where: Base-Base interactions energy: -607.664 where: short stacking energy: -304.041 Base-Backbone interact. energy: 0.360 local terms energy: -480.509367 where: bonds (distance) C4'-P energy: -137.756 bonds (distance) P-C4' energy: -140.594 flat angles C4'-P-C4' energy: -89.298 flat angles P-C4'-P energy: -94.110 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: 10 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -611.513906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.513906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.513906 (E_RNA) where: Base-Base interactions energy: -229.866 where: short stacking energy: -185.732 Base-Backbone interact. energy: -0.522 local terms energy: -381.126414 where: bonds (distance) C4'-P energy: -136.135 bonds (distance) P-C4' energy: -127.533 flat angles C4'-P-C4' energy: -104.744 flat angles P-C4'-P energy: -58.361 tors. eta vs tors. theta energy: 45.646 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: 3 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -2689.807271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.807271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.807271 (E_RNA) where: Base-Base interactions energy: -1840.112 where: short stacking energy: -795.311 Base-Backbone interact. energy: -5.071 local terms energy: -844.624477 where: bonds (distance) C4'-P energy: -155.177 bonds (distance) P-C4' energy: -152.597 flat angles C4'-P-C4' energy: -196.087 flat angles P-C4'-P energy: -129.736 tors. eta vs tors. theta energy: -211.027 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: 1 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2642.370735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.370735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.370735 (E_RNA) where: Base-Base interactions energy: -1793.974 where: short stacking energy: -810.635 Base-Backbone interact. energy: 1.642 local terms energy: -850.038746 where: bonds (distance) C4'-P energy: -163.929 bonds (distance) P-C4' energy: -158.043 flat angles C4'-P-C4' energy: -178.774 flat angles P-C4'-P energy: -120.360 tors. eta vs tors. theta energy: -228.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2488.396232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.396232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.396232 (E_RNA) where: Base-Base interactions energy: -1703.620 where: short stacking energy: -749.330 Base-Backbone interact. energy: -4.328 local terms energy: -780.448285 where: bonds (distance) C4'-P energy: -119.140 bonds (distance) P-C4' energy: -164.485 flat angles C4'-P-C4' energy: -177.704 flat angles P-C4'-P energy: -115.459 tors. eta vs tors. theta energy: -203.661 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: 4, replica: 9 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2321.772178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.772178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.772178 (E_RNA) where: Base-Base interactions energy: -1592.193 where: short stacking energy: -726.575 Base-Backbone interact. energy: 0.231 local terms energy: -729.810024 where: bonds (distance) C4'-P energy: -144.972 bonds (distance) P-C4' energy: -154.316 flat angles C4'-P-C4' energy: -142.306 flat angles P-C4'-P energy: -95.445 tors. eta vs tors. theta energy: -192.772 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: 4 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2174.346606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.346606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.346606 (E_RNA) where: Base-Base interactions energy: -1468.823 where: short stacking energy: -627.729 Base-Backbone interact. energy: -0.098 local terms energy: -705.425477 where: bonds (distance) C4'-P energy: -159.999 bonds (distance) P-C4' energy: -148.181 flat angles C4'-P-C4' energy: -166.640 flat angles P-C4'-P energy: -80.929 tors. eta vs tors. theta energy: -149.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1824.230361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.230361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.230361 (E_RNA) where: Base-Base interactions energy: -1166.570 where: short stacking energy: -530.289 Base-Backbone interact. energy: -1.619 local terms energy: -656.041547 where: bonds (distance) C4'-P energy: -154.682 bonds (distance) P-C4' energy: -151.050 flat angles C4'-P-C4' energy: -148.050 flat angles P-C4'-P energy: -75.766 tors. eta vs tors. theta energy: -126.494 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: 7 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1674.556770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.556770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.556770 (E_RNA) where: Base-Base interactions energy: -1040.487 where: short stacking energy: -490.356 Base-Backbone interact. energy: -3.890 local terms energy: -630.179617 where: bonds (distance) C4'-P energy: -130.840 bonds (distance) P-C4' energy: -136.558 flat angles C4'-P-C4' energy: -158.532 flat angles P-C4'-P energy: -97.741 tors. eta vs tors. theta energy: -106.508 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: 8 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1325.587088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.587088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.587088 (E_RNA) where: Base-Base interactions energy: -797.453 where: short stacking energy: -401.948 Base-Backbone interact. energy: 3.510 local terms energy: -531.644592 where: bonds (distance) C4'-P energy: -134.244 bonds (distance) P-C4' energy: -128.592 flat angles C4'-P-C4' energy: -137.730 flat angles P-C4'-P energy: -70.956 tors. eta vs tors. theta energy: -60.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1069.497593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.497593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.497593 (E_RNA) where: Base-Base interactions energy: -581.658 where: short stacking energy: -294.665 Base-Backbone interact. energy: 0.391 local terms energy: -488.230185 where: bonds (distance) C4'-P energy: -141.307 bonds (distance) P-C4' energy: -142.247 flat angles C4'-P-C4' energy: -114.616 flat angles P-C4'-P energy: -64.930 tors. eta vs tors. theta energy: -25.131 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: 10 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -601.341244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.341244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.341244 (E_RNA) where: Base-Base interactions energy: -228.294 where: short stacking energy: -196.365 Base-Backbone interact. energy: 10.082 local terms energy: -383.128617 where: bonds (distance) C4'-P energy: -113.739 bonds (distance) P-C4' energy: -120.148 flat angles C4'-P-C4' energy: -117.400 flat angles P-C4'-P energy: -60.211 tors. eta vs tors. theta energy: 28.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -2701.026724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.026724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.026724 (E_RNA) where: Base-Base interactions energy: -1847.348 where: short stacking energy: -780.361 Base-Backbone interact. energy: -5.378 local terms energy: -848.300339 where: bonds (distance) C4'-P energy: -165.804 bonds (distance) P-C4' energy: -160.370 flat angles C4'-P-C4' energy: -184.439 flat angles P-C4'-P energy: -119.994 tors. eta vs tors. theta energy: -217.694 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: 1 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2627.751149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.751149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.751149 (E_RNA) where: Base-Base interactions energy: -1793.571 where: short stacking energy: -809.489 Base-Backbone interact. energy: 0.756 local terms energy: -834.936250 where: bonds (distance) C4'-P energy: -151.707 bonds (distance) P-C4' energy: -157.849 flat angles C4'-P-C4' energy: -178.419 flat angles P-C4'-P energy: -123.921 tors. eta vs tors. theta energy: -223.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2492.181071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.181071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.181071 (E_RNA) where: Base-Base interactions energy: -1717.813 where: short stacking energy: -745.288 Base-Backbone interact. energy: -0.669 local terms energy: -773.698944 where: bonds (distance) C4'-P energy: -134.203 bonds (distance) P-C4' energy: -157.441 flat angles C4'-P-C4' energy: -167.970 flat angles P-C4'-P energy: -121.896 tors. eta vs tors. theta energy: -192.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2334.220553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.220553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.220553 (E_RNA) where: Base-Base interactions energy: -1610.762 where: short stacking energy: -700.496 Base-Backbone interact. energy: -5.429 local terms energy: -718.030293 where: bonds (distance) C4'-P energy: -137.870 bonds (distance) P-C4' energy: -133.463 flat angles C4'-P-C4' energy: -162.706 flat angles P-C4'-P energy: -102.713 tors. eta vs tors. theta energy: -181.278 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: 450 Temperature: 1.100000 Total energy: -2150.201228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.201228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.201228 (E_RNA) where: Base-Base interactions energy: -1447.388 where: short stacking energy: -631.084 Base-Backbone interact. energy: -2.259 local terms energy: -700.554128 where: bonds (distance) C4'-P energy: -145.042 bonds (distance) P-C4' energy: -155.143 flat angles C4'-P-C4' energy: -170.785 flat angles P-C4'-P energy: -79.126 tors. eta vs tors. theta energy: -150.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1824.278783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.278783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.278783 (E_RNA) where: Base-Base interactions energy: -1169.043 where: short stacking energy: -529.550 Base-Backbone interact. energy: -3.935 local terms energy: -651.300872 where: bonds (distance) C4'-P energy: -141.962 bonds (distance) P-C4' energy: -145.268 flat angles C4'-P-C4' energy: -151.995 flat angles P-C4'-P energy: -91.071 tors. eta vs tors. theta energy: -121.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1641.785801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.785801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.785801 (E_RNA) where: Base-Base interactions energy: -1037.903 where: short stacking energy: -490.486 Base-Backbone interact. energy: -4.823 local terms energy: -599.059426 where: bonds (distance) C4'-P energy: -136.220 bonds (distance) P-C4' energy: -145.181 flat angles C4'-P-C4' energy: -125.339 flat angles P-C4'-P energy: -90.469 tors. eta vs tors. theta energy: -101.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1315.216800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.216800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.216800 (E_RNA) where: Base-Base interactions energy: -759.075 where: short stacking energy: -375.330 Base-Backbone interact. energy: -0.010 local terms energy: -556.131356 where: bonds (distance) C4'-P energy: -139.018 bonds (distance) P-C4' energy: -137.696 flat angles C4'-P-C4' energy: -132.312 flat angles P-C4'-P energy: -83.612 tors. eta vs tors. theta energy: -63.493 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: 9, replica: 6 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1078.002338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.002338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.002338 (E_RNA) where: Base-Base interactions energy: -578.270 where: short stacking energy: -312.727 Base-Backbone interact. energy: 3.110 local terms energy: -502.842776 where: bonds (distance) C4'-P energy: -112.910 bonds (distance) P-C4' energy: -156.657 flat angles C4'-P-C4' energy: -126.535 flat angles P-C4'-P energy: -91.502 tors. eta vs tors. theta energy: -15.239 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: 10 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -644.885959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.885959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.885959 (E_RNA) where: Base-Base interactions energy: -245.468 where: short stacking energy: -182.929 Base-Backbone interact. energy: 4.542 local terms energy: -403.960100 where: bonds (distance) C4'-P energy: -118.730 bonds (distance) P-C4' energy: -135.976 flat angles C4'-P-C4' energy: -113.343 flat angles P-C4'-P energy: -57.701 tors. eta vs tors. theta energy: 21.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -2716.843895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.843895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.843895 (E_RNA) where: Base-Base interactions energy: -1865.692 where: short stacking energy: -778.237 Base-Backbone interact. energy: -6.794 local terms energy: -844.357472 where: bonds (distance) C4'-P energy: -166.412 bonds (distance) P-C4' energy: -167.157 flat angles C4'-P-C4' energy: -182.897 flat angles P-C4'-P energy: -122.546 tors. eta vs tors. theta energy: -205.346 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: 1 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2646.269187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.269187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.269187 (E_RNA) where: Base-Base interactions energy: -1777.936 where: short stacking energy: -798.746 Base-Backbone interact. energy: -1.187 local terms energy: -867.146404 where: bonds (distance) C4'-P energy: -144.900 bonds (distance) P-C4' energy: -172.907 flat angles C4'-P-C4' energy: -182.631 flat angles P-C4'-P energy: -135.421 tors. eta vs tors. theta energy: -231.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2497.358527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.358527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.358527 (E_RNA) where: Base-Base interactions energy: -1672.171 where: short stacking energy: -726.900 Base-Backbone interact. energy: -6.568 local terms energy: -818.619357 where: bonds (distance) C4'-P energy: -158.338 bonds (distance) P-C4' energy: -156.720 flat angles C4'-P-C4' energy: -183.902 flat angles P-C4'-P energy: -121.441 tors. eta vs tors. theta energy: -198.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2331.848091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.848091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.848091 (E_RNA) where: Base-Base interactions energy: -1568.158 where: short stacking energy: -700.410 Base-Backbone interact. energy: -2.759 local terms energy: -760.931404 where: bonds (distance) C4'-P energy: -127.982 bonds (distance) P-C4' energy: -130.172 flat angles C4'-P-C4' energy: -174.202 flat angles P-C4'-P energy: -123.277 tors. eta vs tors. theta energy: -205.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2140.051953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.051953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.051953 (E_RNA) where: Base-Base interactions energy: -1450.842 where: short stacking energy: -628.780 Base-Backbone interact. energy: 2.526 local terms energy: -691.735912 where: bonds (distance) C4'-P energy: -120.510 bonds (distance) P-C4' energy: -168.505 flat angles C4'-P-C4' energy: -164.059 flat angles P-C4'-P energy: -95.647 tors. eta vs tors. theta energy: -143.015 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: 5 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1851.498263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.498263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.498263 (E_RNA) where: Base-Base interactions energy: -1174.462 where: short stacking energy: -537.854 Base-Backbone interact. energy: -1.272 local terms energy: -675.764591 where: bonds (distance) C4'-P energy: -115.302 bonds (distance) P-C4' energy: -165.026 flat angles C4'-P-C4' energy: -166.400 flat angles P-C4'-P energy: -108.237 tors. eta vs tors. theta energy: -120.799 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: 7 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1616.959032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.959032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.959032 (E_RNA) where: Base-Base interactions energy: -1004.552 where: short stacking energy: -487.498 Base-Backbone interact. energy: 4.242 local terms energy: -616.649333 where: bonds (distance) C4'-P energy: -133.236 bonds (distance) P-C4' energy: -136.503 flat angles C4'-P-C4' energy: -146.872 flat angles P-C4'-P energy: -97.100 tors. eta vs tors. theta energy: -102.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1346.272035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.272035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.272035 (E_RNA) where: Base-Base interactions energy: -801.759 where: short stacking energy: -396.553 Base-Backbone interact. energy: -0.124 local terms energy: -544.389321 where: bonds (distance) C4'-P energy: -126.313 bonds (distance) P-C4' energy: -150.335 flat angles C4'-P-C4' energy: -126.408 flat angles P-C4'-P energy: -84.900 tors. eta vs tors. theta energy: -56.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1064.499910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.499910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.499910 (E_RNA) where: Base-Base interactions energy: -586.868 where: short stacking energy: -282.877 Base-Backbone interact. energy: 6.096 local terms energy: -483.728339 where: bonds (distance) C4'-P energy: -125.013 bonds (distance) P-C4' energy: -129.851 flat angles C4'-P-C4' energy: -122.157 flat angles P-C4'-P energy: -79.265 tors. eta vs tors. theta energy: -27.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -621.817676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.817676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.817676 (E_RNA) where: Base-Base interactions energy: -251.909 where: short stacking energy: -185.216 Base-Backbone interact. energy: -3.776 local terms energy: -366.132263 where: bonds (distance) C4'-P energy: -109.532 bonds (distance) P-C4' energy: -119.681 flat angles C4'-P-C4' energy: -107.415 flat angles P-C4'-P energy: -59.061 tors. eta vs tors. theta energy: 29.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -2681.273106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.273106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.273106 (E_RNA) where: Base-Base interactions energy: -1841.987 where: short stacking energy: -789.452 Base-Backbone interact. energy: -7.477 local terms energy: -831.808925 where: bonds (distance) C4'-P energy: -162.328 bonds (distance) P-C4' energy: -161.441 flat angles C4'-P-C4' energy: -186.534 flat angles P-C4'-P energy: -111.036 tors. eta vs tors. theta energy: -210.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2637.912489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.912489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.912489 (E_RNA) where: Base-Base interactions energy: -1807.275 where: short stacking energy: -803.086 Base-Backbone interact. energy: -0.073 local terms energy: -830.565156 where: bonds (distance) C4'-P energy: -141.703 bonds (distance) P-C4' energy: -169.084 flat angles C4'-P-C4' energy: -177.664 flat angles P-C4'-P energy: -113.610 tors. eta vs tors. theta energy: -228.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2537.649561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.649561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.649561 (E_RNA) where: Base-Base interactions energy: -1725.556 where: short stacking energy: -771.475 Base-Backbone interact. energy: -5.406 local terms energy: -806.686789 where: bonds (distance) C4'-P energy: -143.213 bonds (distance) P-C4' energy: -149.690 flat angles C4'-P-C4' energy: -176.989 flat angles P-C4'-P energy: -119.500 tors. eta vs tors. theta energy: -217.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2361.072517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.072517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.072517 (E_RNA) where: Base-Base interactions energy: -1599.774 where: short stacking energy: -721.394 Base-Backbone interact. energy: -1.083 local terms energy: -760.216030 where: bonds (distance) C4'-P energy: -153.534 bonds (distance) P-C4' energy: -165.443 flat angles C4'-P-C4' energy: -152.650 flat angles P-C4'-P energy: -99.442 tors. eta vs tors. theta energy: -189.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2138.411555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.411555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.411555 (E_RNA) where: Base-Base interactions energy: -1461.868 where: short stacking energy: -634.937 Base-Backbone interact. energy: -2.607 local terms energy: -673.936812 where: bonds (distance) C4'-P energy: -126.742 bonds (distance) P-C4' energy: -124.210 flat angles C4'-P-C4' energy: -153.336 flat angles P-C4'-P energy: -99.048 tors. eta vs tors. theta energy: -170.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1842.839611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.839611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.839611 (E_RNA) where: Base-Base interactions energy: -1183.752 where: short stacking energy: -535.138 Base-Backbone interact. energy: -0.687 local terms energy: -658.400315 where: bonds (distance) C4'-P energy: -146.809 bonds (distance) P-C4' energy: -146.632 flat angles C4'-P-C4' energy: -151.653 flat angles P-C4'-P energy: -92.785 tors. eta vs tors. theta energy: -120.521 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: 7 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1610.380606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.380606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.380606 (E_RNA) where: Base-Base interactions energy: -1009.446 where: short stacking energy: -484.455 Base-Backbone interact. energy: 1.742 local terms energy: -602.676516 where: bonds (distance) C4'-P energy: -124.845 bonds (distance) P-C4' energy: -154.179 flat angles C4'-P-C4' energy: -137.642 flat angles P-C4'-P energy: -73.885 tors. eta vs tors. theta energy: -112.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1306.247181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.247181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.247181 (E_RNA) where: Base-Base interactions energy: -782.158 where: short stacking energy: -377.606 Base-Backbone interact. energy: 1.651 local terms energy: -525.739464 where: bonds (distance) C4'-P energy: -116.733 bonds (distance) P-C4' energy: -140.805 flat angles C4'-P-C4' energy: -140.508 flat angles P-C4'-P energy: -77.189 tors. eta vs tors. theta energy: -50.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1033.231991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.231991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.231991 (E_RNA) where: Base-Base interactions energy: -569.315 where: short stacking energy: -282.340 Base-Backbone interact. energy: -5.917 local terms energy: -457.999925 where: bonds (distance) C4'-P energy: -131.729 bonds (distance) P-C4' energy: -145.141 flat angles C4'-P-C4' energy: -101.369 flat angles P-C4'-P energy: -62.419 tors. eta vs tors. theta energy: -17.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -669.843366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.843366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.843366 (E_RNA) where: Base-Base interactions energy: -268.368 where: short stacking energy: -198.021 Base-Backbone interact. energy: 0.178 local terms energy: -401.653356 where: bonds (distance) C4'-P energy: -137.449 bonds (distance) P-C4' energy: -127.300 flat angles C4'-P-C4' energy: -96.344 flat angles P-C4'-P energy: -64.209 tors. eta vs tors. theta energy: 23.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -2744.369348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.369348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.369348 (E_RNA) where: Base-Base interactions energy: -1886.218 where: short stacking energy: -807.426 Base-Backbone interact. energy: -3.674 local terms energy: -854.477386 where: bonds (distance) C4'-P energy: -161.627 bonds (distance) P-C4' energy: -170.009 flat angles C4'-P-C4' energy: -185.690 flat angles P-C4'-P energy: -123.588 tors. eta vs tors. theta energy: -213.563 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: 1 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2674.453617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.453617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.453617 (E_RNA) where: Base-Base interactions energy: -1804.765 where: short stacking energy: -788.515 Base-Backbone interact. energy: -2.855 local terms energy: -866.833938 where: bonds (distance) C4'-P energy: -161.314 bonds (distance) P-C4' energy: -163.646 flat angles C4'-P-C4' energy: -197.233 flat angles P-C4'-P energy: -119.306 tors. eta vs tors. theta energy: -225.336 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: 2 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2597.876497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.876497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.876497 (E_RNA) where: Base-Base interactions energy: -1766.606 where: short stacking energy: -766.279 Base-Backbone interact. energy: -3.006 local terms energy: -828.265373 where: bonds (distance) C4'-P energy: -146.271 bonds (distance) P-C4' energy: -169.185 flat angles C4'-P-C4' energy: -179.673 flat angles P-C4'-P energy: -107.576 tors. eta vs tors. theta energy: -225.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2349.228884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.228884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.228884 (E_RNA) where: Base-Base interactions energy: -1599.315 where: short stacking energy: -672.183 Base-Backbone interact. energy: -4.562 local terms energy: -745.351156 where: bonds (distance) C4'-P energy: -140.413 bonds (distance) P-C4' energy: -156.474 flat angles C4'-P-C4' energy: -174.276 flat angles P-C4'-P energy: -91.447 tors. eta vs tors. theta energy: -182.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2200.526661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.526661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.526661 (E_RNA) where: Base-Base interactions energy: -1501.473 where: short stacking energy: -644.706 Base-Backbone interact. energy: -0.095 local terms energy: -698.959211 where: bonds (distance) C4'-P energy: -114.446 bonds (distance) P-C4' energy: -146.139 flat angles C4'-P-C4' energy: -163.353 flat angles P-C4'-P energy: -114.443 tors. eta vs tors. theta energy: -160.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1865.216811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.216811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.216811 (E_RNA) where: Base-Base interactions energy: -1206.498 where: short stacking energy: -541.447 Base-Backbone interact. energy: -4.203 local terms energy: -654.515494 where: bonds (distance) C4'-P energy: -151.244 bonds (distance) P-C4' energy: -156.769 flat angles C4'-P-C4' energy: -136.570 flat angles P-C4'-P energy: -91.519 tors. eta vs tors. theta energy: -118.413 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: 7 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1578.958719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.958719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.958719 (E_RNA) where: Base-Base interactions energy: -970.503 where: short stacking energy: -444.671 Base-Backbone interact. energy: 0.321 local terms energy: -608.776020 where: bonds (distance) C4'-P energy: -148.326 bonds (distance) P-C4' energy: -139.706 flat angles C4'-P-C4' energy: -140.698 flat angles P-C4'-P energy: -80.929 tors. eta vs tors. theta energy: -99.117 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: 6 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1198.707695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.707695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.707695 (E_RNA) where: Base-Base interactions energy: -671.780 where: short stacking energy: -359.056 Base-Backbone interact. energy: 0.321 local terms energy: -527.248560 where: bonds (distance) C4'-P energy: -119.417 bonds (distance) P-C4' energy: -137.494 flat angles C4'-P-C4' energy: -138.534 flat angles P-C4'-P energy: -84.122 tors. eta vs tors. theta energy: -47.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1268.100039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.100039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.100039 (E_RNA) where: Base-Base interactions energy: -753.262 where: short stacking energy: -351.349 Base-Backbone interact. energy: -0.296 local terms energy: -514.541562 where: bonds (distance) C4'-P energy: -131.287 bonds (distance) P-C4' energy: -139.633 flat angles C4'-P-C4' energy: -108.187 flat angles P-C4'-P energy: -82.163 tors. eta vs tors. theta energy: -53.272 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: 10 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -692.092507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.092507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.092507 (E_RNA) where: Base-Base interactions energy: -299.325 where: short stacking energy: -205.748 Base-Backbone interact. energy: 1.646 local terms energy: -394.412920 where: bonds (distance) C4'-P energy: -120.844 bonds (distance) P-C4' energy: -109.330 flat angles C4'-P-C4' energy: -128.582 flat angles P-C4'-P energy: -76.650 tors. eta vs tors. theta energy: 40.994 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: 3 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -2741.624189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.624189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.624189 (E_RNA) where: Base-Base interactions energy: -1875.602 where: short stacking energy: -804.319 Base-Backbone interact. energy: -4.093 local terms energy: -861.929290 where: bonds (distance) C4'-P energy: -169.886 bonds (distance) P-C4' energy: -169.665 flat angles C4'-P-C4' energy: -179.663 flat angles P-C4'-P energy: -124.727 tors. eta vs tors. theta energy: -217.988 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: 1 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2674.957175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.957175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.957175 (E_RNA) where: Base-Base interactions energy: -1834.979 where: short stacking energy: -776.388 Base-Backbone interact. energy: -4.595 local terms energy: -835.383227 where: bonds (distance) C4'-P energy: -147.460 bonds (distance) P-C4' energy: -159.299 flat angles C4'-P-C4' energy: -191.125 flat angles P-C4'-P energy: -120.595 tors. eta vs tors. theta energy: -216.904 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: 2 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2547.669573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.669573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.669573 (E_RNA) where: Base-Base interactions energy: -1734.630 where: short stacking energy: -795.303 Base-Backbone interact. energy: 0.350 local terms energy: -813.389787 where: bonds (distance) C4'-P energy: -156.924 bonds (distance) P-C4' energy: -140.545 flat angles C4'-P-C4' energy: -170.866 flat angles P-C4'-P energy: -127.754 tors. eta vs tors. theta energy: -217.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2390.780916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.780916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.780916 (E_RNA) where: Base-Base interactions energy: -1627.522 where: short stacking energy: -718.330 Base-Backbone interact. energy: -4.844 local terms energy: -758.415425 where: bonds (distance) C4'-P energy: -142.168 bonds (distance) P-C4' energy: -145.727 flat angles C4'-P-C4' energy: -158.307 flat angles P-C4'-P energy: -109.854 tors. eta vs tors. theta energy: -202.360 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: 454 Temperature: 1.100000 Total energy: -2145.831283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.831283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.831283 (E_RNA) where: Base-Base interactions energy: -1460.455 where: short stacking energy: -607.364 Base-Backbone interact. energy: -2.184 local terms energy: -683.192271 where: bonds (distance) C4'-P energy: -132.262 bonds (distance) P-C4' energy: -145.519 flat angles C4'-P-C4' energy: -150.466 flat angles P-C4'-P energy: -93.286 tors. eta vs tors. theta energy: -161.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1903.640474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.640474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.640474 (E_RNA) where: Base-Base interactions energy: -1234.394 where: short stacking energy: -540.814 Base-Backbone interact. energy: -0.886 local terms energy: -668.360442 where: bonds (distance) C4'-P energy: -139.567 bonds (distance) P-C4' energy: -135.301 flat angles C4'-P-C4' energy: -150.626 flat angles P-C4'-P energy: -107.039 tors. eta vs tors. theta energy: -135.827 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: 7 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1691.220631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.220631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.220631 (E_RNA) where: Base-Base interactions energy: -1087.189 where: short stacking energy: -499.351 Base-Backbone interact. energy: 3.388 local terms energy: -607.419469 where: bonds (distance) C4'-P energy: -134.374 bonds (distance) P-C4' energy: -128.740 flat angles C4'-P-C4' energy: -131.930 flat angles P-C4'-P energy: -97.818 tors. eta vs tors. theta energy: -114.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1183.466932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.466932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.466932 (E_RNA) where: Base-Base interactions energy: -654.197 where: short stacking energy: -352.199 Base-Backbone interact. energy: -0.144 local terms energy: -529.125923 where: bonds (distance) C4'-P energy: -127.358 bonds (distance) P-C4' energy: -171.723 flat angles C4'-P-C4' energy: -134.139 flat angles P-C4'-P energy: -68.500 tors. eta vs tors. theta energy: -27.405 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: 8 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1272.070643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.070643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.070643 (E_RNA) where: Base-Base interactions energy: -737.295 where: short stacking energy: -354.187 Base-Backbone interact. energy: 1.927 local terms energy: -536.702169 where: bonds (distance) C4'-P energy: -137.389 bonds (distance) P-C4' energy: -145.020 flat angles C4'-P-C4' energy: -127.537 flat angles P-C4'-P energy: -85.541 tors. eta vs tors. theta energy: -41.214 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: 10, replica: 10 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -665.895322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.895322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.895322 (E_RNA) where: Base-Base interactions energy: -278.669 where: short stacking energy: -195.943 Base-Backbone interact. energy: 1.340 local terms energy: -388.565861 where: bonds (distance) C4'-P energy: -113.109 bonds (distance) P-C4' energy: -122.165 flat angles C4'-P-C4' energy: -98.396 flat angles P-C4'-P energy: -72.023 tors. eta vs tors. theta energy: 17.128 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: 3 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -2766.019371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.019371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.019371 (E_RNA) where: Base-Base interactions energy: -1907.345 where: short stacking energy: -834.867 Base-Backbone interact. energy: -5.097 local terms energy: -853.577396 where: bonds (distance) C4'-P energy: -158.907 bonds (distance) P-C4' energy: -168.865 flat angles C4'-P-C4' energy: -178.873 flat angles P-C4'-P energy: -122.224 tors. eta vs tors. theta energy: -224.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2687.448735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.448735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.448735 (E_RNA) where: Base-Base interactions energy: -1809.467 where: short stacking energy: -801.260 Base-Backbone interact. energy: -3.893 local terms energy: -874.089152 where: bonds (distance) C4'-P energy: -157.049 bonds (distance) P-C4' energy: -174.127 flat angles C4'-P-C4' energy: -184.060 flat angles P-C4'-P energy: -126.926 tors. eta vs tors. theta energy: -231.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2534.841977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.841977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.841977 (E_RNA) where: Base-Base interactions energy: -1726.490 where: short stacking energy: -791.123 Base-Backbone interact. energy: -1.057 local terms energy: -807.294713 where: bonds (distance) C4'-P energy: -151.395 bonds (distance) P-C4' energy: -131.077 flat angles C4'-P-C4' energy: -177.712 flat angles P-C4'-P energy: -129.100 tors. eta vs tors. theta energy: -218.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2391.427172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.427172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.427172 (E_RNA) where: Base-Base interactions energy: -1627.997 where: short stacking energy: -711.731 Base-Backbone interact. energy: 0.744 local terms energy: -764.173574 where: bonds (distance) C4'-P energy: -155.938 bonds (distance) P-C4' energy: -150.288 flat angles C4'-P-C4' energy: -175.194 flat angles P-C4'-P energy: -95.782 tors. eta vs tors. theta energy: -186.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2136.402593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.402593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.402593 (E_RNA) where: Base-Base interactions energy: -1431.287 where: short stacking energy: -609.481 Base-Backbone interact. energy: -1.186 local terms energy: -703.929729 where: bonds (distance) C4'-P energy: -128.644 bonds (distance) P-C4' energy: -155.631 flat angles C4'-P-C4' energy: -161.378 flat angles P-C4'-P energy: -100.457 tors. eta vs tors. theta energy: -157.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1928.798741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.798741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.798741 (E_RNA) where: Base-Base interactions energy: -1263.326 where: short stacking energy: -563.452 Base-Backbone interact. energy: -2.007 local terms energy: -663.466659 where: bonds (distance) C4'-P energy: -137.500 bonds (distance) P-C4' energy: -152.808 flat angles C4'-P-C4' energy: -135.935 flat angles P-C4'-P energy: -89.035 tors. eta vs tors. theta energy: -148.188 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: 7 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1613.502912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.502912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.502912 (E_RNA) where: Base-Base interactions energy: -1028.303 where: short stacking energy: -431.397 Base-Backbone interact. energy: 2.048 local terms energy: -587.248319 where: bonds (distance) C4'-P energy: -134.262 bonds (distance) P-C4' energy: -141.887 flat angles C4'-P-C4' energy: -144.483 flat angles P-C4'-P energy: -82.249 tors. eta vs tors. theta energy: -84.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1351.575936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.575936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.575936 (E_RNA) where: Base-Base interactions energy: -806.391 where: short stacking energy: -380.573 Base-Backbone interact. energy: -0.402 local terms energy: -544.783335 where: bonds (distance) C4'-P energy: -122.085 bonds (distance) P-C4' energy: -119.695 flat angles C4'-P-C4' energy: -155.408 flat angles P-C4'-P energy: -85.368 tors. eta vs tors. theta energy: -62.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1080.877718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.877718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.877718 (E_RNA) where: Base-Base interactions energy: -588.694 where: short stacking energy: -287.481 Base-Backbone interact. energy: 1.671 local terms energy: -493.854347 where: bonds (distance) C4'-P energy: -142.432 bonds (distance) P-C4' energy: -122.651 flat angles C4'-P-C4' energy: -136.938 flat angles P-C4'-P energy: -66.578 tors. eta vs tors. theta energy: -25.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -663.113174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.113174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.113174 (E_RNA) where: Base-Base interactions energy: -263.417 where: short stacking energy: -180.750 Base-Backbone interact. energy: 9.486 local terms energy: -409.182341 where: bonds (distance) C4'-P energy: -129.305 bonds (distance) P-C4' energy: -148.177 flat angles C4'-P-C4' energy: -96.432 flat angles P-C4'-P energy: -47.288 tors. eta vs tors. theta energy: 12.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -2737.732164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.732164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.732164 (E_RNA) where: Base-Base interactions energy: -1889.178 where: short stacking energy: -801.086 Base-Backbone interact. energy: -3.544 local terms energy: -845.010333 where: bonds (distance) C4'-P energy: -148.682 bonds (distance) P-C4' energy: -164.797 flat angles C4'-P-C4' energy: -183.099 flat angles P-C4'-P energy: -131.433 tors. eta vs tors. theta energy: -216.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2672.956883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.956883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.956883 (E_RNA) where: Base-Base interactions energy: -1823.845 where: short stacking energy: -777.956 Base-Backbone interact. energy: -6.151 local terms energy: -842.961068 where: bonds (distance) C4'-P energy: -161.697 bonds (distance) P-C4' energy: -150.159 flat angles C4'-P-C4' energy: -180.888 flat angles P-C4'-P energy: -119.457 tors. eta vs tors. theta energy: -230.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2524.796285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.796285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.796285 (E_RNA) where: Base-Base interactions energy: -1686.454 where: short stacking energy: -720.602 Base-Backbone interact. energy: 5.363 local terms energy: -843.704433 where: bonds (distance) C4'-P energy: -166.380 bonds (distance) P-C4' energy: -157.363 flat angles C4'-P-C4' energy: -187.068 flat angles P-C4'-P energy: -123.585 tors. eta vs tors. theta energy: -209.308 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: 9 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2424.644033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.644033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.644033 (E_RNA) where: Base-Base interactions energy: -1644.218 where: short stacking energy: -726.331 Base-Backbone interact. energy: -4.831 local terms energy: -775.595512 where: bonds (distance) C4'-P energy: -152.812 bonds (distance) P-C4' energy: -152.355 flat angles C4'-P-C4' energy: -159.050 flat angles P-C4'-P energy: -108.558 tors. eta vs tors. theta energy: -202.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2144.041304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.041304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.041304 (E_RNA) where: Base-Base interactions energy: -1442.763 where: short stacking energy: -600.225 Base-Backbone interact. energy: -2.001 local terms energy: -699.276917 where: bonds (distance) C4'-P energy: -149.878 bonds (distance) P-C4' energy: -152.323 flat angles C4'-P-C4' energy: -146.874 flat angles P-C4'-P energy: -105.350 tors. eta vs tors. theta energy: -144.852 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: 5 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1946.079901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.079901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.079901 (E_RNA) where: Base-Base interactions energy: -1270.402 where: short stacking energy: -549.875 Base-Backbone interact. energy: -1.105 local terms energy: -674.572514 where: bonds (distance) C4'-P energy: -134.331 bonds (distance) P-C4' energy: -169.932 flat angles C4'-P-C4' energy: -139.746 flat angles P-C4'-P energy: -95.474 tors. eta vs tors. theta energy: -135.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1619.814980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.814980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.814980 (E_RNA) where: Base-Base interactions energy: -1024.835 where: short stacking energy: -483.532 Base-Backbone interact. energy: -0.060 local terms energy: -594.919581 where: bonds (distance) C4'-P energy: -127.729 bonds (distance) P-C4' energy: -136.721 flat angles C4'-P-C4' energy: -128.604 flat angles P-C4'-P energy: -101.205 tors. eta vs tors. theta energy: -100.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1340.749053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.749053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.749053 (E_RNA) where: Base-Base interactions energy: -789.230 where: short stacking energy: -371.381 Base-Backbone interact. energy: -1.753 local terms energy: -549.766115 where: bonds (distance) C4'-P energy: -131.049 bonds (distance) P-C4' energy: -152.483 flat angles C4'-P-C4' energy: -122.449 flat angles P-C4'-P energy: -87.729 tors. eta vs tors. theta energy: -56.056 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: 9, replica: 6 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1077.365654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.365654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.365654 (E_RNA) where: Base-Base interactions energy: -616.820 where: short stacking energy: -305.544 Base-Backbone interact. energy: 0.316 local terms energy: -460.861212 where: bonds (distance) C4'-P energy: -113.361 bonds (distance) P-C4' energy: -126.191 flat angles C4'-P-C4' energy: -123.076 flat angles P-C4'-P energy: -74.432 tors. eta vs tors. theta energy: -23.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -660.055370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.055370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.055370 (E_RNA) where: Base-Base interactions energy: -252.962 where: short stacking energy: -171.991 Base-Backbone interact. energy: -0.744 local terms energy: -406.348981 where: bonds (distance) C4'-P energy: -132.084 bonds (distance) P-C4' energy: -122.667 flat angles C4'-P-C4' energy: -108.771 flat angles P-C4'-P energy: -71.456 tors. eta vs tors. theta energy: 28.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -2784.413743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.413743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.413743 (E_RNA) where: Base-Base interactions energy: -1908.848 where: short stacking energy: -818.031 Base-Backbone interact. energy: -3.474 local terms energy: -872.091315 where: bonds (distance) C4'-P energy: -167.193 bonds (distance) P-C4' energy: -174.937 flat angles C4'-P-C4' energy: -181.175 flat angles P-C4'-P energy: -118.673 tors. eta vs tors. theta energy: -230.113 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: 2, replica: 1 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2701.962459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.962459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.962459 (E_RNA) where: Base-Base interactions energy: -1875.619 where: short stacking energy: -817.873 Base-Backbone interact. energy: 0.796 local terms energy: -827.139718 where: bonds (distance) C4'-P energy: -154.765 bonds (distance) P-C4' energy: -152.206 flat angles C4'-P-C4' energy: -179.691 flat angles P-C4'-P energy: -112.736 tors. eta vs tors. theta energy: -227.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2508.706736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.706736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.706736 (E_RNA) where: Base-Base interactions energy: -1731.339 where: short stacking energy: -756.726 Base-Backbone interact. energy: 4.702 local terms energy: -782.069716 where: bonds (distance) C4'-P energy: -149.259 bonds (distance) P-C4' energy: -149.511 flat angles C4'-P-C4' energy: -167.844 flat angles P-C4'-P energy: -115.266 tors. eta vs tors. theta energy: -200.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2404.191593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.191593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.191593 (E_RNA) where: Base-Base interactions energy: -1620.419 where: short stacking energy: -699.924 Base-Backbone interact. energy: -0.968 local terms energy: -782.804827 where: bonds (distance) C4'-P energy: -143.530 bonds (distance) P-C4' energy: -155.115 flat angles C4'-P-C4' energy: -161.874 flat angles P-C4'-P energy: -122.579 tors. eta vs tors. theta energy: -199.708 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: 4 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2115.103025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.103025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.103025 (E_RNA) where: Base-Base interactions energy: -1438.515 where: short stacking energy: -647.168 Base-Backbone interact. energy: 3.953 local terms energy: -680.540986 where: bonds (distance) C4'-P energy: -141.156 bonds (distance) P-C4' energy: -135.428 flat angles C4'-P-C4' energy: -155.918 flat angles P-C4'-P energy: -96.644 tors. eta vs tors. theta energy: -151.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1937.086769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.086769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.086769 (E_RNA) where: Base-Base interactions energy: -1289.979 where: short stacking energy: -576.125 Base-Backbone interact. energy: -1.166 local terms energy: -645.941614 where: bonds (distance) C4'-P energy: -143.914 bonds (distance) P-C4' energy: -159.764 flat angles C4'-P-C4' energy: -149.923 flat angles P-C4'-P energy: -77.014 tors. eta vs tors. theta energy: -115.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1572.598574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.598574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.598574 (E_RNA) where: Base-Base interactions energy: -975.189 where: short stacking energy: -435.264 Base-Backbone interact. energy: -5.187 local terms energy: -592.222974 where: bonds (distance) C4'-P energy: -131.253 bonds (distance) P-C4' energy: -134.938 flat angles C4'-P-C4' energy: -145.352 flat angles P-C4'-P energy: -78.402 tors. eta vs tors. theta energy: -102.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1386.668131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.668131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.668131 (E_RNA) where: Base-Base interactions energy: -837.729 where: short stacking energy: -382.920 Base-Backbone interact. energy: 1.214 local terms energy: -550.152856 where: bonds (distance) C4'-P energy: -135.181 bonds (distance) P-C4' energy: -145.853 flat angles C4'-P-C4' energy: -127.897 flat angles P-C4'-P energy: -95.549 tors. eta vs tors. theta energy: -45.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1082.153763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.153763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.153763 (E_RNA) where: Base-Base interactions energy: -611.849 where: short stacking energy: -294.935 Base-Backbone interact. energy: -1.696 local terms energy: -468.608570 where: bonds (distance) C4'-P energy: -117.664 bonds (distance) P-C4' energy: -120.389 flat angles C4'-P-C4' energy: -136.105 flat angles P-C4'-P energy: -79.089 tors. eta vs tors. theta energy: -15.362 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: 10 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -686.365739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.365739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.365739 (E_RNA) where: Base-Base interactions energy: -305.626 where: short stacking energy: -184.935 Base-Backbone interact. energy: 9.901 local terms energy: -390.640191 where: bonds (distance) C4'-P energy: -117.966 bonds (distance) P-C4' energy: -132.570 flat angles C4'-P-C4' energy: -111.891 flat angles P-C4'-P energy: -51.049 tors. eta vs tors. theta energy: 22.836 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: 3 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -2760.607179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.607179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.607179 (E_RNA) where: Base-Base interactions energy: -1899.787 where: short stacking energy: -811.518 Base-Backbone interact. energy: -3.828 local terms energy: -856.991997 where: bonds (distance) C4'-P energy: -153.814 bonds (distance) P-C4' energy: -171.055 flat angles C4'-P-C4' energy: -184.849 flat angles P-C4'-P energy: -124.093 tors. eta vs tors. theta energy: -223.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2702.954873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.954873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.954873 (E_RNA) where: Base-Base interactions energy: -1839.822 where: short stacking energy: -813.454 Base-Backbone interact. energy: -4.309 local terms energy: -858.823732 where: bonds (distance) C4'-P energy: -167.253 bonds (distance) P-C4' energy: -135.849 flat angles C4'-P-C4' energy: -184.767 flat angles P-C4'-P energy: -136.926 tors. eta vs tors. theta energy: -234.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2514.536860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.536860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.536860 (E_RNA) where: Base-Base interactions energy: -1708.059 where: short stacking energy: -739.408 Base-Backbone interact. energy: 1.354 local terms energy: -807.831546 where: bonds (distance) C4'-P energy: -150.682 bonds (distance) P-C4' energy: -157.536 flat angles C4'-P-C4' energy: -180.179 flat angles P-C4'-P energy: -111.137 tors. eta vs tors. theta energy: -208.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2391.537875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.537875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.537875 (E_RNA) where: Base-Base interactions energy: -1631.024 where: short stacking energy: -735.938 Base-Backbone interact. energy: 3.665 local terms energy: -764.178786 where: bonds (distance) C4'-P energy: -147.443 bonds (distance) P-C4' energy: -139.185 flat angles C4'-P-C4' energy: -173.816 flat angles P-C4'-P energy: -105.368 tors. eta vs tors. theta energy: -198.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2142.102198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.102198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.102198 (E_RNA) where: Base-Base interactions energy: -1417.154 where: short stacking energy: -584.805 Base-Backbone interact. energy: -2.324 local terms energy: -722.623549 where: bonds (distance) C4'-P energy: -155.545 bonds (distance) P-C4' energy: -143.514 flat angles C4'-P-C4' energy: -167.619 flat angles P-C4'-P energy: -108.571 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: 6, replica: 5 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1923.737218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.737218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.737218 (E_RNA) where: Base-Base interactions energy: -1300.248 where: short stacking energy: -553.738 Base-Backbone interact. energy: -2.169 local terms energy: -621.320085 where: bonds (distance) C4'-P energy: -142.011 bonds (distance) P-C4' energy: -141.031 flat angles C4'-P-C4' energy: -133.887 flat angles P-C4'-P energy: -79.273 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: 7, replica: 7 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1600.207173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.207173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.207173 (E_RNA) where: Base-Base interactions energy: -1002.855 where: short stacking energy: -468.394 Base-Backbone interact. energy: -3.976 local terms energy: -593.375851 where: bonds (distance) C4'-P energy: -142.787 bonds (distance) P-C4' energy: -133.095 flat angles C4'-P-C4' energy: -132.127 flat angles P-C4'-P energy: -96.291 tors. eta vs tors. theta energy: -89.075 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: 8 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1458.598738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.598738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.598738 (E_RNA) where: Base-Base interactions energy: -890.452 where: short stacking energy: -423.834 Base-Backbone interact. energy: -4.618 local terms energy: -563.528056 where: bonds (distance) C4'-P energy: -140.216 bonds (distance) P-C4' energy: -136.470 flat angles C4'-P-C4' energy: -129.977 flat angles P-C4'-P energy: -84.900 tors. eta vs tors. theta energy: -71.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1085.940680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.940680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.940680 (E_RNA) where: Base-Base interactions energy: -607.038 where: short stacking energy: -321.406 Base-Backbone interact. energy: 5.786 local terms energy: -484.688086 where: bonds (distance) C4'-P energy: -128.292 bonds (distance) P-C4' energy: -126.045 flat angles C4'-P-C4' energy: -115.019 flat angles P-C4'-P energy: -84.883 tors. eta vs tors. theta energy: -30.449 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: 10 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -658.046513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.046513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.046513 (E_RNA) where: Base-Base interactions energy: -277.589 where: short stacking energy: -202.968 Base-Backbone interact. energy: 3.143 local terms energy: -383.600856 where: bonds (distance) C4'-P energy: -122.413 bonds (distance) P-C4' energy: -122.933 flat angles C4'-P-C4' energy: -101.628 flat angles P-C4'-P energy: -67.224 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: 1, replica: 3 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -2740.801659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.801659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.801659 (E_RNA) where: Base-Base interactions energy: -1881.268 where: short stacking energy: -816.427 Base-Backbone interact. energy: -0.745 local terms energy: -858.789266 where: bonds (distance) C4'-P energy: -167.078 bonds (distance) P-C4' energy: -159.565 flat angles C4'-P-C4' energy: -183.929 flat angles P-C4'-P energy: -122.482 tors. eta vs tors. theta energy: -225.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2730.197421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.197421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.197421 (E_RNA) where: Base-Base interactions energy: -1873.432 where: short stacking energy: -797.793 Base-Backbone interact. energy: -5.377 local terms energy: -851.388586 where: bonds (distance) C4'-P energy: -153.958 bonds (distance) P-C4' energy: -170.305 flat angles C4'-P-C4' energy: -183.418 flat angles P-C4'-P energy: -132.000 tors. eta vs tors. theta energy: -211.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2540.663306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.663306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.663306 (E_RNA) where: Base-Base interactions energy: -1717.952 where: short stacking energy: -734.643 Base-Backbone interact. energy: 0.755 local terms energy: -823.465812 where: bonds (distance) C4'-P energy: -157.542 bonds (distance) P-C4' energy: -161.185 flat angles C4'-P-C4' energy: -195.418 flat angles P-C4'-P energy: -107.911 tors. eta vs tors. theta energy: -201.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2290.144155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.144155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.144155 (E_RNA) where: Base-Base interactions energy: -1513.721 where: short stacking energy: -645.888 Base-Backbone interact. energy: -1.489 local terms energy: -774.933977 where: bonds (distance) C4'-P energy: -155.221 bonds (distance) P-C4' energy: -150.485 flat angles C4'-P-C4' energy: -177.138 flat angles P-C4'-P energy: -117.703 tors. eta vs tors. theta energy: -174.386 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: 4 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2153.904873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.904873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.904873 (E_RNA) where: Base-Base interactions energy: -1434.987 where: short stacking energy: -646.553 Base-Backbone interact. energy: -0.262 local terms energy: -718.656046 where: bonds (distance) C4'-P energy: -145.973 bonds (distance) P-C4' energy: -119.155 flat angles C4'-P-C4' energy: -159.537 flat angles P-C4'-P energy: -113.050 tors. eta vs tors. theta energy: -180.941 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: 6, replica: 5 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1912.581399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.581399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.581399 (E_RNA) where: Base-Base interactions energy: -1275.060 where: short stacking energy: -555.781 Base-Backbone interact. energy: 1.175 local terms energy: -638.696470 where: bonds (distance) C4'-P energy: -137.821 bonds (distance) P-C4' energy: -135.127 flat angles C4'-P-C4' energy: -147.270 flat angles P-C4'-P energy: -96.386 tors. eta vs tors. theta energy: -122.093 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: 7 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1647.188949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.188949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.188949 (E_RNA) where: Base-Base interactions energy: -1035.765 where: short stacking energy: -475.529 Base-Backbone interact. energy: -0.846 local terms energy: -610.577520 where: bonds (distance) C4'-P energy: -154.658 bonds (distance) P-C4' energy: -139.399 flat angles C4'-P-C4' energy: -111.292 flat angles P-C4'-P energy: -93.808 tors. eta vs tors. theta energy: -111.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1435.527486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.527486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.527486 (E_RNA) where: Base-Base interactions energy: -885.727 where: short stacking energy: -413.617 Base-Backbone interact. energy: -1.334 local terms energy: -548.466183 where: bonds (distance) C4'-P energy: -120.458 bonds (distance) P-C4' energy: -140.094 flat angles C4'-P-C4' energy: -136.085 flat angles P-C4'-P energy: -80.120 tors. eta vs tors. theta energy: -71.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1085.021176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.021176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.021176 (E_RNA) where: Base-Base interactions energy: -639.120 where: short stacking energy: -337.110 Base-Backbone interact. energy: 0.700 local terms energy: -446.601604 where: bonds (distance) C4'-P energy: -93.115 bonds (distance) P-C4' energy: -125.898 flat angles C4'-P-C4' energy: -126.994 flat angles P-C4'-P energy: -64.267 tors. eta vs tors. theta energy: -36.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -621.090436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.090436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.090436 (E_RNA) where: Base-Base interactions energy: -226.312 where: short stacking energy: -177.404 Base-Backbone interact. energy: -0.674 local terms energy: -394.103724 where: bonds (distance) C4'-P energy: -136.999 bonds (distance) P-C4' energy: -147.806 flat angles C4'-P-C4' energy: -107.714 flat angles P-C4'-P energy: -53.517 tors. eta vs tors. theta energy: 51.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -2724.534656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.534656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.534656 (E_RNA) where: Base-Base interactions energy: -1888.350 where: short stacking energy: -807.177 Base-Backbone interact. energy: -3.305 local terms energy: -832.880169 where: bonds (distance) C4'-P energy: -162.815 bonds (distance) P-C4' energy: -148.656 flat angles C4'-P-C4' energy: -176.806 flat angles P-C4'-P energy: -119.870 tors. eta vs tors. theta energy: -224.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2700.656127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.656127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.656127 (E_RNA) where: Base-Base interactions energy: -1857.885 where: short stacking energy: -820.079 Base-Backbone interact. energy: 0.284 local terms energy: -843.055143 where: bonds (distance) C4'-P energy: -158.758 bonds (distance) P-C4' energy: -163.633 flat angles C4'-P-C4' energy: -175.863 flat angles P-C4'-P energy: -123.017 tors. eta vs tors. theta energy: -221.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2501.022807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.022807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.022807 (E_RNA) where: Base-Base interactions energy: -1678.420 where: short stacking energy: -723.143 Base-Backbone interact. energy: 1.420 local terms energy: -824.022556 where: bonds (distance) C4'-P energy: -156.014 bonds (distance) P-C4' energy: -172.285 flat angles C4'-P-C4' energy: -173.728 flat angles P-C4'-P energy: -122.265 tors. eta vs tors. theta energy: -199.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2361.189524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.189524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.189524 (E_RNA) where: Base-Base interactions energy: -1587.669 where: short stacking energy: -705.361 Base-Backbone interact. energy: -2.411 local terms energy: -771.109626 where: bonds (distance) C4'-P energy: -134.585 bonds (distance) P-C4' energy: -163.489 flat angles C4'-P-C4' energy: -163.118 flat angles P-C4'-P energy: -119.084 tors. eta vs tors. theta energy: -190.835 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: 4 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2143.813212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.813212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.813212 (E_RNA) where: Base-Base interactions energy: -1447.700 where: short stacking energy: -670.069 Base-Backbone interact. energy: -1.674 local terms energy: -694.438897 where: bonds (distance) C4'-P energy: -127.473 bonds (distance) P-C4' energy: -135.698 flat angles C4'-P-C4' energy: -177.570 flat angles P-C4'-P energy: -88.051 tors. eta vs tors. theta energy: -165.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1954.019150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.019150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.019150 (E_RNA) where: Base-Base interactions energy: -1283.742 where: short stacking energy: -556.036 Base-Backbone interact. energy: -5.394 local terms energy: -664.882956 where: bonds (distance) C4'-P energy: -135.830 bonds (distance) P-C4' energy: -168.596 flat angles C4'-P-C4' energy: -145.904 flat angles P-C4'-P energy: -83.898 tors. eta vs tors. theta energy: -130.656 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: 7 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1614.073153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.073153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.073153 (E_RNA) where: Base-Base interactions energy: -992.509 where: short stacking energy: -489.010 Base-Backbone interact. energy: -3.842 local terms energy: -617.722644 where: bonds (distance) C4'-P energy: -135.129 bonds (distance) P-C4' energy: -129.980 flat angles C4'-P-C4' energy: -156.935 flat angles P-C4'-P energy: -101.908 tors. eta vs tors. theta energy: -93.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1433.920748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.920748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.920748 (E_RNA) where: Base-Base interactions energy: -848.465 where: short stacking energy: -396.865 Base-Backbone interact. energy: 1.893 local terms energy: -587.348589 where: bonds (distance) C4'-P energy: -157.464 bonds (distance) P-C4' energy: -144.096 flat angles C4'-P-C4' energy: -133.514 flat angles P-C4'-P energy: -75.560 tors. eta vs tors. theta energy: -76.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1068.593981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.593981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.593981 (E_RNA) where: Base-Base interactions energy: -601.283 where: short stacking energy: -297.710 Base-Backbone interact. energy: -1.692 local terms energy: -465.618813 where: bonds (distance) C4'-P energy: -133.665 bonds (distance) P-C4' energy: -128.731 flat angles C4'-P-C4' energy: -128.715 flat angles P-C4'-P energy: -70.811 tors. eta vs tors. theta energy: -3.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -606.194890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.194890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.194890 (E_RNA) where: Base-Base interactions energy: -209.236 where: short stacking energy: -172.010 Base-Backbone interact. energy: -2.878 local terms energy: -394.081266 where: bonds (distance) C4'-P energy: -106.786 bonds (distance) P-C4' energy: -138.585 flat angles C4'-P-C4' energy: -110.879 flat angles P-C4'-P energy: -57.272 tors. eta vs tors. theta energy: 19.440 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: 3 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -2709.432722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.432722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.432722 (E_RNA) where: Base-Base interactions energy: -1852.447 where: short stacking energy: -811.635 Base-Backbone interact. energy: -2.976 local terms energy: -854.009857 where: bonds (distance) C4'-P energy: -166.413 bonds (distance) P-C4' energy: -159.355 flat angles C4'-P-C4' energy: -188.352 flat angles P-C4'-P energy: -119.709 tors. eta vs tors. theta energy: -220.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2718.494951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.494951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.494951 (E_RNA) where: Base-Base interactions energy: -1850.812 where: short stacking energy: -813.936 Base-Backbone interact. energy: -0.878 local terms energy: -866.804675 where: bonds (distance) C4'-P energy: -163.007 bonds (distance) P-C4' energy: -159.880 flat angles C4'-P-C4' energy: -187.382 flat angles P-C4'-P energy: -132.379 tors. eta vs tors. theta energy: -224.157 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: 461 Temperature: 1.000000 Total energy: -2500.699712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.699712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.699712 (E_RNA) where: Base-Base interactions energy: -1713.539 where: short stacking energy: -719.359 Base-Backbone interact. energy: 1.699 local terms energy: -788.859194 where: bonds (distance) C4'-P energy: -136.774 bonds (distance) P-C4' energy: -146.635 flat angles C4'-P-C4' energy: -171.004 flat angles P-C4'-P energy: -130.005 tors. eta vs tors. theta energy: -204.440 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: 9 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2312.764668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.764668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.764668 (E_RNA) where: Base-Base interactions energy: -1559.452 where: short stacking energy: -665.805 Base-Backbone interact. energy: -2.666 local terms energy: -750.646777 where: bonds (distance) C4'-P energy: -158.751 bonds (distance) P-C4' energy: -152.106 flat angles C4'-P-C4' energy: -151.885 flat angles P-C4'-P energy: -128.614 tors. eta vs tors. theta energy: -159.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2163.514703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.514703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.514703 (E_RNA) where: Base-Base interactions energy: -1432.334 where: short stacking energy: -627.927 Base-Backbone interact. energy: -3.586 local terms energy: -727.594031 where: bonds (distance) C4'-P energy: -152.519 bonds (distance) P-C4' energy: -142.369 flat angles C4'-P-C4' energy: -160.460 flat angles P-C4'-P energy: -105.080 tors. eta vs tors. theta energy: -167.166 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: 5 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1920.732382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.732382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.732382 (E_RNA) where: Base-Base interactions energy: -1280.752 where: short stacking energy: -554.795 Base-Backbone interact. energy: -2.222 local terms energy: -637.758012 where: bonds (distance) C4'-P energy: -138.176 bonds (distance) P-C4' energy: -133.678 flat angles C4'-P-C4' energy: -143.175 flat angles P-C4'-P energy: -98.657 tors. eta vs tors. theta energy: -124.072 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: 7, replica: 7 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1583.708757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.708757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.708757 (E_RNA) where: Base-Base interactions energy: -994.699 where: short stacking energy: -465.098 Base-Backbone interact. energy: 4.225 local terms energy: -593.234517 where: bonds (distance) C4'-P energy: -123.203 bonds (distance) P-C4' energy: -148.855 flat angles C4'-P-C4' energy: -146.593 flat angles P-C4'-P energy: -82.511 tors. eta vs tors. theta energy: -92.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1430.605293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.605293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.605293 (E_RNA) where: Base-Base interactions energy: -902.600 where: short stacking energy: -433.605 Base-Backbone interact. energy: -0.118 local terms energy: -527.887314 where: bonds (distance) C4'-P energy: -117.829 bonds (distance) P-C4' energy: -112.299 flat angles C4'-P-C4' energy: -125.695 flat angles P-C4'-P energy: -94.886 tors. eta vs tors. theta energy: -77.178 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: 6 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1046.168581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.168581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.168581 (E_RNA) where: Base-Base interactions energy: -577.305 where: short stacking energy: -312.324 Base-Backbone interact. energy: -0.530 local terms energy: -468.333709 where: bonds (distance) C4'-P energy: -117.073 bonds (distance) P-C4' energy: -135.675 flat angles C4'-P-C4' energy: -130.023 flat angles P-C4'-P energy: -61.098 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: 10, replica: 10 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -651.732819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.732819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.732819 (E_RNA) where: Base-Base interactions energy: -220.301 where: short stacking energy: -162.800 Base-Backbone interact. energy: 2.241 local terms energy: -433.673074 where: bonds (distance) C4'-P energy: -134.174 bonds (distance) P-C4' energy: -134.911 flat angles C4'-P-C4' energy: -126.023 flat angles P-C4'-P energy: -59.902 tors. eta vs tors. theta energy: 21.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -2761.092101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.092101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.092101 (E_RNA) where: Base-Base interactions energy: -1916.016 where: short stacking energy: -825.848 Base-Backbone interact. energy: -6.491 local terms energy: -838.585025 where: bonds (distance) C4'-P energy: -160.160 bonds (distance) P-C4' energy: -151.406 flat angles C4'-P-C4' energy: -184.915 flat angles P-C4'-P energy: -120.986 tors. eta vs tors. theta energy: -221.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -2655.330581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.330581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.330581 (E_RNA) where: Base-Base interactions energy: -1875.154 where: short stacking energy: -789.143 Base-Backbone interact. energy: -4.090 local terms energy: -776.086081 where: bonds (distance) C4'-P energy: -142.028 bonds (distance) P-C4' energy: -147.477 flat angles C4'-P-C4' energy: -176.196 flat angles P-C4'-P energy: -95.547 tors. eta vs tors. theta energy: -214.838 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: 3, replica: 2 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2518.059484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.059484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.059484 (E_RNA) where: Base-Base interactions energy: -1708.184 where: short stacking energy: -738.068 Base-Backbone interact. energy: -1.465 local terms energy: -808.409948 where: bonds (distance) C4'-P energy: -138.760 bonds (distance) P-C4' energy: -169.293 flat angles C4'-P-C4' energy: -178.448 flat angles P-C4'-P energy: -122.679 tors. eta vs tors. theta energy: -199.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2369.645942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.645942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.645942 (E_RNA) where: Base-Base interactions energy: -1626.479 where: short stacking energy: -725.358 Base-Backbone interact. energy: -5.054 local terms energy: -738.112936 where: bonds (distance) C4'-P energy: -148.612 bonds (distance) P-C4' energy: -121.934 flat angles C4'-P-C4' energy: -165.250 flat angles P-C4'-P energy: -98.827 tors. eta vs tors. theta energy: -203.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2117.870663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.870663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.870663 (E_RNA) where: Base-Base interactions energy: -1418.768 where: short stacking energy: -616.145 Base-Backbone interact. energy: -1.303 local terms energy: -697.800087 where: bonds (distance) C4'-P energy: -133.790 bonds (distance) P-C4' energy: -137.116 flat angles C4'-P-C4' energy: -167.706 flat angles P-C4'-P energy: -111.973 tors. eta vs tors. theta energy: -147.215 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: 5 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1832.585586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.585586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.585586 (E_RNA) where: Base-Base interactions energy: -1175.972 where: short stacking energy: -500.746 Base-Backbone interact. energy: 1.020 local terms energy: -657.632993 where: bonds (distance) C4'-P energy: -156.146 bonds (distance) P-C4' energy: -153.718 flat angles C4'-P-C4' energy: -152.712 flat angles P-C4'-P energy: -98.562 tors. eta vs tors. theta energy: -96.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1604.589051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.589051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.589051 (E_RNA) where: Base-Base interactions energy: -987.878 where: short stacking energy: -413.396 Base-Backbone interact. energy: -3.962 local terms energy: -612.749017 where: bonds (distance) C4'-P energy: -153.531 bonds (distance) P-C4' energy: -146.842 flat angles C4'-P-C4' energy: -133.931 flat angles P-C4'-P energy: -86.610 tors. eta vs tors. theta energy: -91.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1395.119034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.119034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.119034 (E_RNA) where: Base-Base interactions energy: -852.610 where: short stacking energy: -394.489 Base-Backbone interact. energy: 2.844 local terms energy: -545.353418 where: bonds (distance) C4'-P energy: -136.939 bonds (distance) P-C4' energy: -139.912 flat angles C4'-P-C4' energy: -133.238 flat angles P-C4'-P energy: -77.995 tors. eta vs tors. theta energy: -57.270 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: 6 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1059.497306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.497306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.497306 (E_RNA) where: Base-Base interactions energy: -579.257 where: short stacking energy: -283.214 Base-Backbone interact. energy: 0.129 local terms energy: -480.369696 where: bonds (distance) C4'-P energy: -126.170 bonds (distance) P-C4' energy: -133.224 flat angles C4'-P-C4' energy: -121.649 flat angles P-C4'-P energy: -73.287 tors. eta vs tors. theta energy: -26.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -643.550919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.550919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.550919 (E_RNA) where: Base-Base interactions energy: -215.445 where: short stacking energy: -171.794 Base-Backbone interact. energy: 4.990 local terms energy: -433.095263 where: bonds (distance) C4'-P energy: -126.336 bonds (distance) P-C4' energy: -140.528 flat angles C4'-P-C4' energy: -121.531 flat angles P-C4'-P energy: -71.061 tors. eta vs tors. theta energy: 26.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -2712.781533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.781533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.781533 (E_RNA) where: Base-Base interactions energy: -1836.113 where: short stacking energy: -787.782 Base-Backbone interact. energy: 0.505 local terms energy: -877.173063 where: bonds (distance) C4'-P energy: -172.616 bonds (distance) P-C4' energy: -172.674 flat angles C4'-P-C4' energy: -177.050 flat angles P-C4'-P energy: -127.475 tors. eta vs tors. theta energy: -227.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2678.931998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.931998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.931998 (E_RNA) where: Base-Base interactions energy: -1863.993 where: short stacking energy: -801.451 Base-Backbone interact. energy: 2.072 local terms energy: -817.010844 where: bonds (distance) C4'-P energy: -146.705 bonds (distance) P-C4' energy: -158.234 flat angles C4'-P-C4' energy: -176.244 flat angles P-C4'-P energy: -114.366 tors. eta vs tors. theta energy: -221.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2479.473006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.473006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.473006 (E_RNA) where: Base-Base interactions energy: -1696.352 where: short stacking energy: -713.511 Base-Backbone interact. energy: -1.861 local terms energy: -781.260256 where: bonds (distance) C4'-P energy: -151.946 bonds (distance) P-C4' energy: -157.171 flat angles C4'-P-C4' energy: -167.932 flat angles P-C4'-P energy: -111.450 tors. eta vs tors. theta energy: -192.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2379.978043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.978043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.978043 (E_RNA) where: Base-Base interactions energy: -1652.721 where: short stacking energy: -718.557 Base-Backbone interact. energy: 6.974 local terms energy: -734.230971 where: bonds (distance) C4'-P energy: -123.728 bonds (distance) P-C4' energy: -160.835 flat angles C4'-P-C4' energy: -157.933 flat angles P-C4'-P energy: -109.732 tors. eta vs tors. theta energy: -182.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2212.443412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.443412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.443412 (E_RNA) where: Base-Base interactions energy: -1508.696 where: short stacking energy: -626.371 Base-Backbone interact. energy: -4.785 local terms energy: -698.962488 where: bonds (distance) C4'-P energy: -135.119 bonds (distance) P-C4' energy: -144.408 flat angles C4'-P-C4' energy: -150.773 flat angles P-C4'-P energy: -99.426 tors. eta vs tors. theta energy: -169.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1762.627593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.627593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.627593 (E_RNA) where: Base-Base interactions energy: -1163.707 where: short stacking energy: -508.616 Base-Backbone interact. energy: 8.180 local terms energy: -607.100765 where: bonds (distance) C4'-P energy: -132.285 bonds (distance) P-C4' energy: -145.238 flat angles C4'-P-C4' energy: -150.331 flat angles P-C4'-P energy: -89.655 tors. eta vs tors. theta energy: -89.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1670.229816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.229816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.229816 (E_RNA) where: Base-Base interactions energy: -1052.080 where: short stacking energy: -498.459 Base-Backbone interact. energy: -4.633 local terms energy: -613.517172 where: bonds (distance) C4'-P energy: -130.480 bonds (distance) P-C4' energy: -130.336 flat angles C4'-P-C4' energy: -130.429 flat angles P-C4'-P energy: -99.362 tors. eta vs tors. theta energy: -122.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1429.012442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.012442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.012442 (E_RNA) where: Base-Base interactions energy: -864.142 where: short stacking energy: -409.076 Base-Backbone interact. energy: -2.891 local terms energy: -561.979442 where: bonds (distance) C4'-P energy: -142.732 bonds (distance) P-C4' energy: -150.736 flat angles C4'-P-C4' energy: -127.495 flat angles P-C4'-P energy: -70.688 tors. eta vs tors. theta energy: -70.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1045.209168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.209168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.209168 (E_RNA) where: Base-Base interactions energy: -564.635 where: short stacking energy: -279.793 Base-Backbone interact. energy: 6.543 local terms energy: -487.116740 where: bonds (distance) C4'-P energy: -133.863 bonds (distance) P-C4' energy: -139.130 flat angles C4'-P-C4' energy: -124.428 flat angles P-C4'-P energy: -69.944 tors. eta vs tors. theta energy: -19.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -620.235956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.235956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.235956 (E_RNA) where: Base-Base interactions energy: -244.920 where: short stacking energy: -210.389 Base-Backbone interact. energy: -1.037 local terms energy: -374.279324 where: bonds (distance) C4'-P energy: -110.204 bonds (distance) P-C4' energy: -131.646 flat angles C4'-P-C4' energy: -127.613 flat angles P-C4'-P energy: -37.251 tors. eta vs tors. theta energy: 32.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -2730.398184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.398184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.398184 (E_RNA) where: Base-Base interactions energy: -1873.645 where: short stacking energy: -835.976 Base-Backbone interact. energy: -0.665 local terms energy: -856.088306 where: bonds (distance) C4'-P energy: -159.526 bonds (distance) P-C4' energy: -160.616 flat angles C4'-P-C4' energy: -181.542 flat angles P-C4'-P energy: -125.646 tors. eta vs tors. theta energy: -228.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2697.048906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.048906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.048906 (E_RNA) where: Base-Base interactions energy: -1874.075 where: short stacking energy: -773.248 Base-Backbone interact. energy: -5.361 local terms energy: -817.612397 where: bonds (distance) C4'-P energy: -162.779 bonds (distance) P-C4' energy: -142.429 flat angles C4'-P-C4' energy: -178.852 flat angles P-C4'-P energy: -119.731 tors. eta vs tors. theta energy: -213.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2524.333955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.333955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.333955 (E_RNA) where: Base-Base interactions energy: -1744.775 where: short stacking energy: -761.644 Base-Backbone interact. energy: -0.741 local terms energy: -778.817457 where: bonds (distance) C4'-P energy: -151.806 bonds (distance) P-C4' energy: -149.529 flat angles C4'-P-C4' energy: -165.389 flat angles P-C4'-P energy: -112.644 tors. eta vs tors. theta energy: -199.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2392.663337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.663337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.663337 (E_RNA) where: Base-Base interactions energy: -1619.196 where: short stacking energy: -709.825 Base-Backbone interact. energy: -4.516 local terms energy: -768.951376 where: bonds (distance) C4'-P energy: -130.283 bonds (distance) P-C4' energy: -149.718 flat angles C4'-P-C4' energy: -175.506 flat angles P-C4'-P energy: -116.699 tors. eta vs tors. theta energy: -196.746 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: 464 Temperature: 1.100000 Total energy: -2238.827231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.827231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.827231 (E_RNA) where: Base-Base interactions energy: -1517.825 where: short stacking energy: -654.194 Base-Backbone interact. energy: -4.576 local terms energy: -716.426309 where: bonds (distance) C4'-P energy: -130.802 bonds (distance) P-C4' energy: -148.517 flat angles C4'-P-C4' energy: -166.132 flat angles P-C4'-P energy: -90.192 tors. eta vs tors. theta energy: -180.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1861.161955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.161955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.161955 (E_RNA) where: Base-Base interactions energy: -1168.767 where: short stacking energy: -511.735 Base-Backbone interact. energy: -3.166 local terms energy: -689.228989 where: bonds (distance) C4'-P energy: -152.439 bonds (distance) P-C4' energy: -160.781 flat angles C4'-P-C4' energy: -139.957 flat angles P-C4'-P energy: -122.228 tors. eta vs tors. theta energy: -113.825 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: 7, replica: 7 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1633.378189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.378189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.378189 (E_RNA) where: Base-Base interactions energy: -1058.963 where: short stacking energy: -498.314 Base-Backbone interact. energy: -2.844 local terms energy: -571.570939 where: bonds (distance) C4'-P energy: -111.208 bonds (distance) P-C4' energy: -135.523 flat angles C4'-P-C4' energy: -137.174 flat angles P-C4'-P energy: -77.080 tors. eta vs tors. theta energy: -110.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1400.233483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.233483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.233483 (E_RNA) where: Base-Base interactions energy: -863.233 where: short stacking energy: -406.769 Base-Backbone interact. energy: 2.206 local terms energy: -539.206153 where: bonds (distance) C4'-P energy: -117.320 bonds (distance) P-C4' energy: -128.463 flat angles C4'-P-C4' energy: -142.770 flat angles P-C4'-P energy: -77.496 tors. eta vs tors. theta energy: -73.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -1079.528329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.528329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.528329 (E_RNA) where: Base-Base interactions energy: -635.444 where: short stacking energy: -340.954 Base-Backbone interact. energy: 3.043 local terms energy: -447.126581 where: bonds (distance) C4'-P energy: -115.328 bonds (distance) P-C4' energy: -150.123 flat angles C4'-P-C4' energy: -128.143 flat angles P-C4'-P energy: -37.962 tors. eta vs tors. theta energy: -15.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -652.319664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.319664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.319664 (E_RNA) where: Base-Base interactions energy: -251.507 where: short stacking energy: -199.178 Base-Backbone interact. energy: 3.531 local terms energy: -404.343420 where: bonds (distance) C4'-P energy: -112.716 bonds (distance) P-C4' energy: -144.272 flat angles C4'-P-C4' energy: -99.406 flat angles P-C4'-P energy: -74.599 tors. eta vs tors. theta energy: 26.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -2743.435518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.435518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.435518 (E_RNA) where: Base-Base interactions energy: -1870.769 where: short stacking energy: -833.154 Base-Backbone interact. energy: -4.128 local terms energy: -868.538919 where: bonds (distance) C4'-P energy: -158.694 bonds (distance) P-C4' energy: -165.802 flat angles C4'-P-C4' energy: -184.428 flat angles P-C4'-P energy: -124.346 tors. eta vs tors. theta energy: -235.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2695.588833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.588833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.588833 (E_RNA) where: Base-Base interactions energy: -1893.886 where: short stacking energy: -785.272 Base-Backbone interact. energy: -2.182 local terms energy: -799.520705 where: bonds (distance) C4'-P energy: -143.740 bonds (distance) P-C4' energy: -148.066 flat angles C4'-P-C4' energy: -167.640 flat angles P-C4'-P energy: -114.117 tors. eta vs tors. theta energy: -225.958 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: 2 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2525.080240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.080240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.080240 (E_RNA) where: Base-Base interactions energy: -1717.364 where: short stacking energy: -728.829 Base-Backbone interact. energy: -2.486 local terms energy: -805.230698 where: bonds (distance) C4'-P energy: -155.566 bonds (distance) P-C4' energy: -159.564 flat angles C4'-P-C4' energy: -180.963 flat angles P-C4'-P energy: -114.050 tors. eta vs tors. theta energy: -195.088 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: 9 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2370.745772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.745772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.745772 (E_RNA) where: Base-Base interactions energy: -1587.410 where: short stacking energy: -719.506 Base-Backbone interact. energy: -3.271 local terms energy: -780.065460 where: bonds (distance) C4'-P energy: -154.418 bonds (distance) P-C4' energy: -150.339 flat angles C4'-P-C4' energy: -170.318 flat angles P-C4'-P energy: -119.443 tors. eta vs tors. theta energy: -185.548 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: 4 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2228.201633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.201633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.201633 (E_RNA) where: Base-Base interactions energy: -1523.866 where: short stacking energy: -664.366 Base-Backbone interact. energy: -1.390 local terms energy: -702.944987 where: bonds (distance) C4'-P energy: -125.989 bonds (distance) P-C4' energy: -150.706 flat angles C4'-P-C4' energy: -169.417 flat angles P-C4'-P energy: -85.261 tors. eta vs tors. theta energy: -171.572 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: 6, replica: 5 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1891.193163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.193163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.193163 (E_RNA) where: Base-Base interactions energy: -1233.428 where: short stacking energy: -575.765 Base-Backbone interact. energy: 3.244 local terms energy: -661.008896 where: bonds (distance) C4'-P energy: -148.924 bonds (distance) P-C4' energy: -143.726 flat angles C4'-P-C4' energy: -149.044 flat angles P-C4'-P energy: -94.929 tors. eta vs tors. theta energy: -124.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1616.590028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.590028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.590028 (E_RNA) where: Base-Base interactions energy: -1036.247 where: short stacking energy: -490.694 Base-Backbone interact. energy: -2.422 local terms energy: -577.921486 where: bonds (distance) C4'-P energy: -130.595 bonds (distance) P-C4' energy: -125.257 flat angles C4'-P-C4' energy: -143.409 flat angles P-C4'-P energy: -78.817 tors. eta vs tors. theta energy: -99.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1407.576917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.576917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.576917 (E_RNA) where: Base-Base interactions energy: -853.928 where: short stacking energy: -407.551 Base-Backbone interact. energy: -3.061 local terms energy: -550.587987 where: bonds (distance) C4'-P energy: -142.336 bonds (distance) P-C4' energy: -123.502 flat angles C4'-P-C4' energy: -125.575 flat angles P-C4'-P energy: -89.356 tors. eta vs tors. theta energy: -69.819 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: 6 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -1039.666815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.666815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.666815 (E_RNA) where: Base-Base interactions energy: -587.855 where: short stacking energy: -322.574 Base-Backbone interact. energy: 0.651 local terms energy: -452.462815 where: bonds (distance) C4'-P energy: -115.711 bonds (distance) P-C4' energy: -114.976 flat angles C4'-P-C4' energy: -131.984 flat angles P-C4'-P energy: -78.978 tors. eta vs tors. theta energy: -10.814 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: 10, replica: 10 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -629.698898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.698898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.698898 (E_RNA) where: Base-Base interactions energy: -275.623 where: short stacking energy: -216.758 Base-Backbone interact. energy: -0.609 local terms energy: -353.466318 where: bonds (distance) C4'-P energy: -115.455 bonds (distance) P-C4' energy: -132.179 flat angles C4'-P-C4' energy: -91.758 flat angles P-C4'-P energy: -42.947 tors. eta vs tors. theta energy: 28.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -2758.858604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.858604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.858604 (E_RNA) where: Base-Base interactions energy: -1889.209 where: short stacking energy: -813.484 Base-Backbone interact. energy: -4.936 local terms energy: -864.713618 where: bonds (distance) C4'-P energy: -160.952 bonds (distance) P-C4' energy: -157.832 flat angles C4'-P-C4' energy: -188.990 flat angles P-C4'-P energy: -130.589 tors. eta vs tors. theta energy: -226.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2635.656704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.656704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.656704 (E_RNA) where: Base-Base interactions energy: -1799.054 where: short stacking energy: -757.037 Base-Backbone interact. energy: -2.207 local terms energy: -834.395831 where: bonds (distance) C4'-P energy: -144.376 bonds (distance) P-C4' energy: -172.247 flat angles C4'-P-C4' energy: -177.769 flat angles P-C4'-P energy: -132.536 tors. eta vs tors. theta energy: -207.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2564.079758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.079758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.079758 (E_RNA) where: Base-Base interactions energy: -1770.751 where: short stacking energy: -738.407 Base-Backbone interact. energy: -4.339 local terms energy: -788.989334 where: bonds (distance) C4'-P energy: -151.842 bonds (distance) P-C4' energy: -154.911 flat angles C4'-P-C4' energy: -176.510 flat angles P-C4'-P energy: -109.131 tors. eta vs tors. theta energy: -196.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2324.864151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.864151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.864151 (E_RNA) where: Base-Base interactions energy: -1608.906 where: short stacking energy: -677.081 Base-Backbone interact. energy: 0.785 local terms energy: -716.742864 where: bonds (distance) C4'-P energy: -133.173 bonds (distance) P-C4' energy: -152.717 flat angles C4'-P-C4' energy: -160.205 flat angles P-C4'-P energy: -101.628 tors. eta vs tors. theta energy: -169.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2253.217111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.217111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.217111 (E_RNA) where: Base-Base interactions energy: -1524.707 where: short stacking energy: -666.498 Base-Backbone interact. energy: -3.906 local terms energy: -724.604510 where: bonds (distance) C4'-P energy: -138.148 bonds (distance) P-C4' energy: -137.250 flat angles C4'-P-C4' energy: -157.750 flat angles P-C4'-P energy: -112.354 tors. eta vs tors. theta energy: -179.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1873.102539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.102539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.102539 (E_RNA) where: Base-Base interactions energy: -1230.841 where: short stacking energy: -537.063 Base-Backbone interact. energy: 1.690 local terms energy: -643.951375 where: bonds (distance) C4'-P energy: -132.022 bonds (distance) P-C4' energy: -158.384 flat angles C4'-P-C4' energy: -147.076 flat angles P-C4'-P energy: -86.646 tors. eta vs tors. theta energy: -119.823 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: 7 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1605.284219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.284219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.284219 (E_RNA) where: Base-Base interactions energy: -1024.376 where: short stacking energy: -482.279 Base-Backbone interact. energy: 4.681 local terms energy: -585.589479 where: bonds (distance) C4'-P energy: -130.955 bonds (distance) P-C4' energy: -147.796 flat angles C4'-P-C4' energy: -144.054 flat angles P-C4'-P energy: -69.222 tors. eta vs tors. theta energy: -93.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1447.989970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.989970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.989970 (E_RNA) where: Base-Base interactions energy: -897.100 where: short stacking energy: -451.416 Base-Backbone interact. energy: -1.765 local terms energy: -549.125041 where: bonds (distance) C4'-P energy: -116.011 bonds (distance) P-C4' energy: -130.140 flat angles C4'-P-C4' energy: -135.311 flat angles P-C4'-P energy: -80.706 tors. eta vs tors. theta energy: -86.957 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: 9, replica: 6 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1052.784755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.784755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.784755 (E_RNA) where: Base-Base interactions energy: -561.376 where: short stacking energy: -295.578 Base-Backbone interact. energy: -1.315 local terms energy: -490.094360 where: bonds (distance) C4'-P energy: -135.648 bonds (distance) P-C4' energy: -158.897 flat angles C4'-P-C4' energy: -109.994 flat angles P-C4'-P energy: -76.295 tors. eta vs tors. theta energy: -9.261 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: 10 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -665.245145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.245145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.245145 (E_RNA) where: Base-Base interactions energy: -269.634 where: short stacking energy: -185.531 Base-Backbone interact. energy: 2.052 local terms energy: -397.662931 where: bonds (distance) C4'-P energy: -134.711 bonds (distance) P-C4' energy: -119.913 flat angles C4'-P-C4' energy: -98.387 flat angles P-C4'-P energy: -73.277 tors. eta vs tors. theta energy: 28.626 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: 1, replica: 1 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -2736.957157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.957157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.957157 (E_RNA) where: Base-Base interactions energy: -1880.882 where: short stacking energy: -824.054 Base-Backbone interact. energy: 0.846 local terms energy: -856.920761 where: bonds (distance) C4'-P energy: -159.938 bonds (distance) P-C4' energy: -159.992 flat angles C4'-P-C4' energy: -177.296 flat angles P-C4'-P energy: -125.835 tors. eta vs tors. theta energy: -233.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2615.312194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.312194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.312194 (E_RNA) where: Base-Base interactions energy: -1805.878 where: short stacking energy: -762.173 Base-Backbone interact. energy: -3.890 local terms energy: -805.544428 where: bonds (distance) C4'-P energy: -158.506 bonds (distance) P-C4' energy: -146.080 flat angles C4'-P-C4' energy: -163.015 flat angles P-C4'-P energy: -116.424 tors. eta vs tors. theta energy: -221.518 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: 2 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2563.542511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.542511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.542511 (E_RNA) where: Base-Base interactions energy: -1747.167 where: short stacking energy: -712.659 Base-Backbone interact. energy: 3.667 local terms energy: -820.042805 where: bonds (distance) C4'-P energy: -158.333 bonds (distance) P-C4' energy: -173.433 flat angles C4'-P-C4' energy: -174.708 flat angles P-C4'-P energy: -122.247 tors. eta vs tors. theta energy: -191.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2300.141720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.141720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.141720 (E_RNA) where: Base-Base interactions energy: -1525.908 where: short stacking energy: -687.609 Base-Backbone interact. energy: -6.740 local terms energy: -767.493400 where: bonds (distance) C4'-P energy: -149.606 bonds (distance) P-C4' energy: -156.069 flat angles C4'-P-C4' energy: -178.978 flat angles P-C4'-P energy: -104.321 tors. eta vs tors. theta energy: -178.519 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: 4 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2170.361580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.361580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.361580 (E_RNA) where: Base-Base interactions energy: -1456.176 where: short stacking energy: -625.285 Base-Backbone interact. energy: -3.121 local terms energy: -711.064576 where: bonds (distance) C4'-P energy: -136.362 bonds (distance) P-C4' energy: -141.785 flat angles C4'-P-C4' energy: -174.882 flat angles P-C4'-P energy: -105.318 tors. eta vs tors. theta energy: -152.717 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: 5 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1921.436811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.436811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.436811 (E_RNA) where: Base-Base interactions energy: -1309.476 where: short stacking energy: -575.199 Base-Backbone interact. energy: -1.295 local terms energy: -610.665358 where: bonds (distance) C4'-P energy: -117.378 bonds (distance) P-C4' energy: -137.315 flat angles C4'-P-C4' energy: -142.530 flat angles P-C4'-P energy: -80.860 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: 7, replica: 7 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1600.533955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.533955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.533955 (E_RNA) where: Base-Base interactions energy: -1008.278 where: short stacking energy: -465.771 Base-Backbone interact. energy: -0.812 local terms energy: -591.444091 where: bonds (distance) C4'-P energy: -101.325 bonds (distance) P-C4' energy: -147.896 flat angles C4'-P-C4' energy: -145.105 flat angles P-C4'-P energy: -100.359 tors. eta vs tors. theta energy: -96.760 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: 8, replica: 8 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1469.455733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.455733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.455733 (E_RNA) where: Base-Base interactions energy: -902.974 where: short stacking energy: -413.741 Base-Backbone interact. energy: -2.585 local terms energy: -563.896822 where: bonds (distance) C4'-P energy: -111.250 bonds (distance) P-C4' energy: -145.116 flat angles C4'-P-C4' energy: -138.344 flat angles P-C4'-P energy: -91.908 tors. eta vs tors. theta energy: -77.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -1029.458095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.458095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.458095 (E_RNA) where: Base-Base interactions energy: -559.420 where: short stacking energy: -287.380 Base-Backbone interact. energy: 2.084 local terms energy: -472.122572 where: bonds (distance) C4'-P energy: -127.635 bonds (distance) P-C4' energy: -132.013 flat angles C4'-P-C4' energy: -118.812 flat angles P-C4'-P energy: -82.689 tors. eta vs tors. theta energy: -10.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -689.810630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.810630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.810630 (E_RNA) where: Base-Base interactions energy: -269.419 where: short stacking energy: -174.557 Base-Backbone interact. energy: -0.413 local terms energy: -419.978797 where: bonds (distance) C4'-P energy: -132.306 bonds (distance) P-C4' energy: -142.131 flat angles C4'-P-C4' energy: -112.422 flat angles P-C4'-P energy: -67.000 tors. eta vs tors. theta energy: 33.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -2746.003728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.003728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.003728 (E_RNA) where: Base-Base interactions energy: -1895.415 where: short stacking energy: -823.550 Base-Backbone interact. energy: -5.165 local terms energy: -845.423827 where: bonds (distance) C4'-P energy: -151.807 bonds (distance) P-C4' energy: -166.754 flat angles C4'-P-C4' energy: -172.591 flat angles P-C4'-P energy: -126.802 tors. eta vs tors. theta energy: -227.471 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: 3 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2635.285161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.285161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.285161 (E_RNA) where: Base-Base interactions energy: -1816.806 where: short stacking energy: -794.334 Base-Backbone interact. energy: -0.564 local terms energy: -817.914806 where: bonds (distance) C4'-P energy: -160.856 bonds (distance) P-C4' energy: -154.402 flat angles C4'-P-C4' energy: -179.342 flat angles P-C4'-P energy: -98.930 tors. eta vs tors. theta energy: -224.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2526.777754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.777754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.777754 (E_RNA) where: Base-Base interactions energy: -1742.956 where: short stacking energy: -717.560 Base-Backbone interact. energy: -1.800 local terms energy: -782.021937 where: bonds (distance) C4'-P energy: -133.361 bonds (distance) P-C4' energy: -156.346 flat angles C4'-P-C4' energy: -171.331 flat angles P-C4'-P energy: -126.534 tors. eta vs tors. theta energy: -194.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2301.014622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.014622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.014622 (E_RNA) where: Base-Base interactions energy: -1563.248 where: short stacking energy: -680.342 Base-Backbone interact. energy: -2.495 local terms energy: -735.271202 where: bonds (distance) C4'-P energy: -148.966 bonds (distance) P-C4' energy: -147.645 flat angles C4'-P-C4' energy: -170.093 flat angles P-C4'-P energy: -102.902 tors. eta vs tors. theta energy: -165.665 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: 5, replica: 4 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2182.522522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.522522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.522522 (E_RNA) where: Base-Base interactions energy: -1430.985 where: short stacking energy: -613.893 Base-Backbone interact. energy: -5.314 local terms energy: -746.223853 where: bonds (distance) C4'-P energy: -143.653 bonds (distance) P-C4' energy: -162.285 flat angles C4'-P-C4' energy: -167.780 flat angles P-C4'-P energy: -98.628 tors. eta vs tors. theta energy: -173.878 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: 5 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1853.881801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.881801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.881801 (E_RNA) where: Base-Base interactions energy: -1190.076 where: short stacking energy: -540.891 Base-Backbone interact. energy: -2.343 local terms energy: -661.462588 where: bonds (distance) C4'-P energy: -142.537 bonds (distance) P-C4' energy: -145.723 flat angles C4'-P-C4' energy: -137.045 flat angles P-C4'-P energy: -119.152 tors. eta vs tors. theta energy: -117.004 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: 7 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1655.936312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.936312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.936312 (E_RNA) where: Base-Base interactions energy: -1063.684 where: short stacking energy: -503.923 Base-Backbone interact. energy: -1.630 local terms energy: -590.622059 where: bonds (distance) C4'-P energy: -124.527 bonds (distance) P-C4' energy: -143.220 flat angles C4'-P-C4' energy: -140.707 flat angles P-C4'-P energy: -79.971 tors. eta vs tors. theta energy: -102.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1404.843516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.843516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.843516 (E_RNA) where: Base-Base interactions energy: -875.445 where: short stacking energy: -373.872 Base-Backbone interact. energy: -0.660 local terms energy: -528.739414 where: bonds (distance) C4'-P energy: -131.532 bonds (distance) P-C4' energy: -127.204 flat angles C4'-P-C4' energy: -135.620 flat angles P-C4'-P energy: -87.158 tors. eta vs tors. theta energy: -47.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1041.607571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.607571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.607571 (E_RNA) where: Base-Base interactions energy: -551.400 where: short stacking energy: -275.153 Base-Backbone interact. energy: -1.190 local terms energy: -489.017364 where: bonds (distance) C4'-P energy: -143.527 bonds (distance) P-C4' energy: -150.066 flat angles C4'-P-C4' energy: -115.637 flat angles P-C4'-P energy: -66.404 tors. eta vs tors. theta energy: -13.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -650.001417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.001417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.001417 (E_RNA) where: Base-Base interactions energy: -229.986 where: short stacking energy: -180.716 Base-Backbone interact. energy: -2.126 local terms energy: -417.889778 where: bonds (distance) C4'-P energy: -126.021 bonds (distance) P-C4' energy: -150.174 flat angles C4'-P-C4' energy: -103.598 flat angles P-C4'-P energy: -68.095 tors. eta vs tors. theta energy: 29.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -2753.507141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.507141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.507141 (E_RNA) where: Base-Base interactions energy: -1878.944 where: short stacking energy: -820.549 Base-Backbone interact. energy: -2.384 local terms energy: -872.179557 where: bonds (distance) C4'-P energy: -158.728 bonds (distance) P-C4' energy: -153.411 flat angles C4'-P-C4' energy: -185.746 flat angles P-C4'-P energy: -142.494 tors. eta vs tors. theta energy: -231.800 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: 3 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -2625.732829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.732829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.732829 (E_RNA) where: Base-Base interactions energy: -1830.202 where: short stacking energy: -754.496 Base-Backbone interact. energy: -1.341 local terms energy: -794.189718 where: bonds (distance) C4'-P energy: -154.441 bonds (distance) P-C4' energy: -154.155 flat angles C4'-P-C4' energy: -165.144 flat angles P-C4'-P energy: -114.819 tors. eta vs tors. theta energy: -205.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2540.093508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.093508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.093508 (E_RNA) where: Base-Base interactions energy: -1733.680 where: short stacking energy: -750.766 Base-Backbone interact. energy: 1.020 local terms energy: -807.433871 where: bonds (distance) C4'-P energy: -146.865 bonds (distance) P-C4' energy: -132.789 flat angles C4'-P-C4' energy: -191.164 flat angles P-C4'-P energy: -127.356 tors. eta vs tors. theta energy: -209.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2294.074328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.074328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.074328 (E_RNA) where: Base-Base interactions energy: -1544.873 where: short stacking energy: -690.247 Base-Backbone interact. energy: -2.379 local terms energy: -746.822364 where: bonds (distance) C4'-P energy: -139.121 bonds (distance) P-C4' energy: -166.639 flat angles C4'-P-C4' energy: -163.775 flat angles P-C4'-P energy: -104.220 tors. eta vs tors. theta energy: -173.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2154.771962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.771962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.771962 (E_RNA) where: Base-Base interactions energy: -1439.285 where: short stacking energy: -588.060 Base-Backbone interact. energy: -6.043 local terms energy: -709.444024 where: bonds (distance) C4'-P energy: -161.268 bonds (distance) P-C4' energy: -157.499 flat angles C4'-P-C4' energy: -155.038 flat angles P-C4'-P energy: -91.972 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: 6, replica: 5 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1817.813898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.813898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.813898 (E_RNA) where: Base-Base interactions energy: -1193.362 where: short stacking energy: -517.145 Base-Backbone interact. energy: -2.409 local terms energy: -622.042852 where: bonds (distance) C4'-P energy: -149.574 bonds (distance) P-C4' energy: -126.576 flat angles C4'-P-C4' energy: -139.240 flat angles P-C4'-P energy: -99.401 tors. eta vs tors. theta energy: -107.252 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: 7, replica: 7 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1639.712853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.712853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.712853 (E_RNA) where: Base-Base interactions energy: -1046.008 where: short stacking energy: -455.658 Base-Backbone interact. energy: -3.366 local terms energy: -590.338924 where: bonds (distance) C4'-P energy: -135.379 bonds (distance) P-C4' energy: -145.298 flat angles C4'-P-C4' energy: -126.627 flat angles P-C4'-P energy: -82.771 tors. eta vs tors. theta energy: -100.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1406.343996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.343996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.343996 (E_RNA) where: Base-Base interactions energy: -852.084 where: short stacking energy: -403.114 Base-Backbone interact. energy: -3.447 local terms energy: -550.813153 where: bonds (distance) C4'-P energy: -123.483 bonds (distance) P-C4' energy: -139.533 flat angles C4'-P-C4' energy: -139.946 flat angles P-C4'-P energy: -79.818 tors. eta vs tors. theta energy: -68.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -1068.633210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.633210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.633210 (E_RNA) where: Base-Base interactions energy: -603.525 where: short stacking energy: -307.626 Base-Backbone interact. energy: -1.706 local terms energy: -463.402052 where: bonds (distance) C4'-P energy: -119.065 bonds (distance) P-C4' energy: -142.886 flat angles C4'-P-C4' energy: -129.586 flat angles P-C4'-P energy: -49.726 tors. eta vs tors. theta energy: -22.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -589.539102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.539102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.539102 (E_RNA) where: Base-Base interactions energy: -195.351 where: short stacking energy: -156.492 Base-Backbone interact. energy: -0.457 local terms energy: -393.730758 where: bonds (distance) C4'-P energy: -108.536 bonds (distance) P-C4' energy: -155.763 flat angles C4'-P-C4' energy: -115.203 flat angles P-C4'-P energy: -60.081 tors. eta vs tors. theta energy: 45.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -2769.312545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.312545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.312545 (E_RNA) where: Base-Base interactions energy: -1896.085 where: short stacking energy: -842.197 Base-Backbone interact. energy: -1.789 local terms energy: -871.437643 where: bonds (distance) C4'-P energy: -164.825 bonds (distance) P-C4' energy: -177.601 flat angles C4'-P-C4' energy: -177.307 flat angles P-C4'-P energy: -123.023 tors. eta vs tors. theta energy: -228.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -2607.105884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.105884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.105884 (E_RNA) where: Base-Base interactions energy: -1787.680 where: short stacking energy: -774.997 Base-Backbone interact. energy: -4.080 local terms energy: -815.346435 where: bonds (distance) C4'-P energy: -154.585 bonds (distance) P-C4' energy: -163.491 flat angles C4'-P-C4' energy: -175.240 flat angles P-C4'-P energy: -102.355 tors. eta vs tors. theta energy: -219.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2559.959900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.959900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.959900 (E_RNA) where: Base-Base interactions energy: -1742.191 where: short stacking energy: -764.576 Base-Backbone interact. energy: -4.973 local terms energy: -812.796156 where: bonds (distance) C4'-P energy: -156.320 bonds (distance) P-C4' energy: -150.465 flat angles C4'-P-C4' energy: -178.896 flat angles P-C4'-P energy: -119.810 tors. eta vs tors. theta energy: -207.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2291.488836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.488836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.488836 (E_RNA) where: Base-Base interactions energy: -1558.036 where: short stacking energy: -685.720 Base-Backbone interact. energy: 0.186 local terms energy: -733.639339 where: bonds (distance) C4'-P energy: -131.384 bonds (distance) P-C4' energy: -150.550 flat angles C4'-P-C4' energy: -160.316 flat angles P-C4'-P energy: -121.024 tors. eta vs tors. theta energy: -170.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2152.829326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.829326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.829326 (E_RNA) where: Base-Base interactions energy: -1470.168 where: short stacking energy: -608.306 Base-Backbone interact. energy: -3.936 local terms energy: -678.725140 where: bonds (distance) C4'-P energy: -146.217 bonds (distance) P-C4' energy: -142.965 flat angles C4'-P-C4' energy: -142.182 flat angles P-C4'-P energy: -102.261 tors. eta vs tors. theta energy: -145.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1815.571167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.571167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.571167 (E_RNA) where: Base-Base interactions energy: -1201.324 where: short stacking energy: -531.710 Base-Backbone interact. energy: -3.774 local terms energy: -610.473773 where: bonds (distance) C4'-P energy: -142.996 bonds (distance) P-C4' energy: -151.089 flat angles C4'-P-C4' energy: -127.802 flat angles P-C4'-P energy: -98.912 tors. eta vs tors. theta energy: -89.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1655.888221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.888221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.888221 (E_RNA) where: Base-Base interactions energy: -1024.407 where: short stacking energy: -455.211 Base-Backbone interact. energy: 0.612 local terms energy: -632.093409 where: bonds (distance) C4'-P energy: -157.926 bonds (distance) P-C4' energy: -143.463 flat angles C4'-P-C4' energy: -150.227 flat angles P-C4'-P energy: -81.864 tors. eta vs tors. theta energy: -98.614 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: 8 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1441.575500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.575500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.575500 (E_RNA) where: Base-Base interactions energy: -872.225 where: short stacking energy: -417.986 Base-Backbone interact. energy: -1.191 local terms energy: -568.159570 where: bonds (distance) C4'-P energy: -127.768 bonds (distance) P-C4' energy: -137.553 flat angles C4'-P-C4' energy: -137.913 flat angles P-C4'-P energy: -82.380 tors. eta vs tors. theta energy: -82.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -1004.707625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.707625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.707625 (E_RNA) where: Base-Base interactions energy: -516.182 where: short stacking energy: -254.288 Base-Backbone interact. energy: -3.609 local terms energy: -484.916754 where: bonds (distance) C4'-P energy: -110.195 bonds (distance) P-C4' energy: -149.180 flat angles C4'-P-C4' energy: -124.803 flat angles P-C4'-P energy: -91.593 tors. eta vs tors. theta energy: -9.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -641.146670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.146670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.146670 (E_RNA) where: Base-Base interactions energy: -231.523 where: short stacking energy: -201.640 Base-Backbone interact. energy: 5.524 local terms energy: -415.147148 where: bonds (distance) C4'-P energy: -122.589 bonds (distance) P-C4' energy: -147.205 flat angles C4'-P-C4' energy: -108.434 flat angles P-C4'-P energy: -69.374 tors. eta vs tors. theta energy: 32.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -2738.539191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.539191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.539191 (E_RNA) where: Base-Base interactions energy: -1867.658 where: short stacking energy: -832.611 Base-Backbone interact. energy: 1.538 local terms energy: -872.419420 where: bonds (distance) C4'-P energy: -164.352 bonds (distance) P-C4' energy: -147.972 flat angles C4'-P-C4' energy: -190.295 flat angles P-C4'-P energy: -128.944 tors. eta vs tors. theta energy: -240.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -2616.628390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.628390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.628390 (E_RNA) where: Base-Base interactions energy: -1778.231 where: short stacking energy: -764.952 Base-Backbone interact. energy: -0.880 local terms energy: -837.516782 where: bonds (distance) C4'-P energy: -165.765 bonds (distance) P-C4' energy: -161.027 flat angles C4'-P-C4' energy: -185.687 flat angles P-C4'-P energy: -124.475 tors. eta vs tors. theta energy: -200.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2563.277261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.277261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.277261 (E_RNA) where: Base-Base interactions energy: -1767.445 where: short stacking energy: -764.848 Base-Backbone interact. energy: -0.523 local terms energy: -795.308625 where: bonds (distance) C4'-P energy: -150.799 bonds (distance) P-C4' energy: -140.346 flat angles C4'-P-C4' energy: -179.061 flat angles P-C4'-P energy: -119.534 tors. eta vs tors. theta energy: -205.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2330.016691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.016691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.016691 (E_RNA) where: Base-Base interactions energy: -1599.835 where: short stacking energy: -673.937 Base-Backbone interact. energy: -1.756 local terms energy: -728.425751 where: bonds (distance) C4'-P energy: -140.126 bonds (distance) P-C4' energy: -156.441 flat angles C4'-P-C4' energy: -176.930 flat angles P-C4'-P energy: -87.639 tors. eta vs tors. theta energy: -167.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2253.965945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.965945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.965945 (E_RNA) where: Base-Base interactions energy: -1535.566 where: short stacking energy: -666.774 Base-Backbone interact. energy: 1.611 local terms energy: -720.010824 where: bonds (distance) C4'-P energy: -132.935 bonds (distance) P-C4' energy: -151.397 flat angles C4'-P-C4' energy: -170.373 flat angles P-C4'-P energy: -109.944 tors. eta vs tors. theta energy: -155.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1815.030688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.030688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.030688 (E_RNA) where: Base-Base interactions energy: -1170.288 where: short stacking energy: -499.542 Base-Backbone interact. energy: 6.287 local terms energy: -651.030010 where: bonds (distance) C4'-P energy: -154.959 bonds (distance) P-C4' energy: -131.657 flat angles C4'-P-C4' energy: -149.051 flat angles P-C4'-P energy: -107.131 tors. eta vs tors. theta energy: -108.233 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: 7 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1559.554037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.554037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.554037 (E_RNA) where: Base-Base interactions energy: -987.075 where: short stacking energy: -474.172 Base-Backbone interact. energy: 0.229 local terms energy: -572.708302 where: bonds (distance) C4'-P energy: -126.834 bonds (distance) P-C4' energy: -136.566 flat angles C4'-P-C4' energy: -137.040 flat angles P-C4'-P energy: -91.712 tors. eta vs tors. theta energy: -80.556 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: 8 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1341.300164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.300164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.300164 (E_RNA) where: Base-Base interactions energy: -792.163 where: short stacking energy: -384.094 Base-Backbone interact. energy: -1.779 local terms energy: -547.357908 where: bonds (distance) C4'-P energy: -144.969 bonds (distance) P-C4' energy: -125.753 flat angles C4'-P-C4' energy: -120.433 flat angles P-C4'-P energy: -82.826 tors. eta vs tors. theta energy: -73.377 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: 9, replica: 6 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -966.921883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.921883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.921883 (E_RNA) where: Base-Base interactions energy: -499.312 where: short stacking energy: -258.206 Base-Backbone interact. energy: -1.445 local terms energy: -466.165266 where: bonds (distance) C4'-P energy: -142.852 bonds (distance) P-C4' energy: -127.338 flat angles C4'-P-C4' energy: -112.463 flat angles P-C4'-P energy: -84.799 tors. eta vs tors. theta energy: 1.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -633.721208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.721208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.721208 (E_RNA) where: Base-Base interactions energy: -227.777 where: short stacking energy: -198.366 Base-Backbone interact. energy: -0.978 local terms energy: -404.966749 where: bonds (distance) C4'-P energy: -123.651 bonds (distance) P-C4' energy: -130.246 flat angles C4'-P-C4' energy: -105.091 flat angles P-C4'-P energy: -60.841 tors. eta vs tors. theta energy: 14.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -2762.724714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.724714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.724714 (E_RNA) where: Base-Base interactions energy: -1893.715 where: short stacking energy: -843.235 Base-Backbone interact. energy: -2.688 local terms energy: -866.321256 where: bonds (distance) C4'-P energy: -159.496 bonds (distance) P-C4' energy: -166.609 flat angles C4'-P-C4' energy: -180.049 flat angles P-C4'-P energy: -122.536 tors. eta vs tors. theta energy: -237.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -2648.360736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.360736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.360736 (E_RNA) where: Base-Base interactions energy: -1834.478 where: short stacking energy: -773.056 Base-Backbone interact. energy: -0.146 local terms energy: -813.736712 where: bonds (distance) C4'-P energy: -140.690 bonds (distance) P-C4' energy: -154.184 flat angles C4'-P-C4' energy: -191.203 flat angles P-C4'-P energy: -124.792 tors. eta vs tors. theta energy: -202.867 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: 3 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2602.781633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.781633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.781633 (E_RNA) where: Base-Base interactions energy: -1777.675 where: short stacking energy: -781.946 Base-Backbone interact. energy: -4.115 local terms energy: -820.992503 where: bonds (distance) C4'-P energy: -144.880 bonds (distance) P-C4' energy: -162.055 flat angles C4'-P-C4' energy: -170.715 flat angles P-C4'-P energy: -131.923 tors. eta vs tors. theta energy: -211.420 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: 9 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2322.818692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.818692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.818692 (E_RNA) where: Base-Base interactions energy: -1566.532 where: short stacking energy: -677.180 Base-Backbone interact. energy: -5.506 local terms energy: -750.781102 where: bonds (distance) C4'-P energy: -132.895 bonds (distance) P-C4' energy: -161.466 flat angles C4'-P-C4' energy: -176.542 flat angles P-C4'-P energy: -107.865 tors. eta vs tors. theta energy: -172.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -2266.034373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.034373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.034373 (E_RNA) where: Base-Base interactions energy: -1517.585 where: short stacking energy: -640.936 Base-Backbone interact. energy: -4.505 local terms energy: -743.943980 where: bonds (distance) C4'-P energy: -129.223 bonds (distance) P-C4' energy: -147.867 flat angles C4'-P-C4' energy: -166.260 flat angles P-C4'-P energy: -115.689 tors. eta vs tors. theta energy: -184.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1813.778975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.778975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.778975 (E_RNA) where: Base-Base interactions energy: -1188.855 where: short stacking energy: -525.529 Base-Backbone interact. energy: -0.864 local terms energy: -624.060578 where: bonds (distance) C4'-P energy: -152.148 bonds (distance) P-C4' energy: -154.443 flat angles C4'-P-C4' energy: -129.472 flat angles P-C4'-P energy: -84.202 tors. eta vs tors. theta energy: -103.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1599.075482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.075482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.075482 (E_RNA) where: Base-Base interactions energy: -972.487 where: short stacking energy: -469.943 Base-Backbone interact. energy: 0.709 local terms energy: -627.297484 where: bonds (distance) C4'-P energy: -132.688 bonds (distance) P-C4' energy: -158.873 flat angles C4'-P-C4' energy: -136.617 flat angles P-C4'-P energy: -91.234 tors. eta vs tors. theta energy: -107.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1447.086931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.086931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.086931 (E_RNA) where: Base-Base interactions energy: -886.832 where: short stacking energy: -408.680 Base-Backbone interact. energy: -0.947 local terms energy: -559.307903 where: bonds (distance) C4'-P energy: -114.192 bonds (distance) P-C4' energy: -138.649 flat angles C4'-P-C4' energy: -131.117 flat angles P-C4'-P energy: -91.358 tors. eta vs tors. theta energy: -83.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -934.131514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.131514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.131514 (E_RNA) where: Base-Base interactions energy: -454.741 where: short stacking energy: -263.374 Base-Backbone interact. energy: -1.672 local terms energy: -477.718917 where: bonds (distance) C4'-P energy: -116.345 bonds (distance) P-C4' energy: -155.040 flat angles C4'-P-C4' energy: -110.194 flat angles P-C4'-P energy: -73.404 tors. eta vs tors. theta energy: -22.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -617.921063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.921063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.921063 (E_RNA) where: Base-Base interactions energy: -229.383 where: short stacking energy: -163.441 Base-Backbone interact. energy: 5.287 local terms energy: -393.824749 where: bonds (distance) C4'-P energy: -124.039 bonds (distance) P-C4' energy: -142.976 flat angles C4'-P-C4' energy: -111.719 flat angles P-C4'-P energy: -48.643 tors. eta vs tors. theta energy: 33.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -2741.184006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.184006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.184006 (E_RNA) where: Base-Base interactions energy: -1860.132 where: short stacking energy: -803.281 Base-Backbone interact. energy: -3.976 local terms energy: -877.076041 where: bonds (distance) C4'-P energy: -173.978 bonds (distance) P-C4' energy: -177.287 flat angles C4'-P-C4' energy: -175.955 flat angles P-C4'-P energy: -121.757 tors. eta vs tors. theta energy: -228.099 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: 2, replica: 2 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2678.869319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.869319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.869319 (E_RNA) where: Base-Base interactions energy: -1854.396 where: short stacking energy: -801.620 Base-Backbone interact. energy: -2.814 local terms energy: -821.658646 where: bonds (distance) C4'-P energy: -147.683 bonds (distance) P-C4' energy: -142.702 flat angles C4'-P-C4' energy: -184.829 flat angles P-C4'-P energy: -132.434 tors. eta vs tors. theta energy: -214.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2579.550767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.550767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.550767 (E_RNA) where: Base-Base interactions energy: -1757.285 where: short stacking energy: -763.534 Base-Backbone interact. energy: -2.066 local terms energy: -820.198979 where: bonds (distance) C4'-P energy: -145.487 bonds (distance) P-C4' energy: -156.256 flat angles C4'-P-C4' energy: -186.514 flat angles P-C4'-P energy: -124.347 tors. eta vs tors. theta energy: -207.594 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: 9 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2295.573756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.573756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.573756 (E_RNA) where: Base-Base interactions energy: -1560.876 where: short stacking energy: -684.618 Base-Backbone interact. energy: -6.276 local terms energy: -728.421244 where: bonds (distance) C4'-P energy: -142.992 bonds (distance) P-C4' energy: -146.213 flat angles C4'-P-C4' energy: -163.365 flat angles P-C4'-P energy: -106.794 tors. eta vs tors. theta energy: -169.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2242.829294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.829294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.829294 (E_RNA) where: Base-Base interactions energy: -1504.280 where: short stacking energy: -640.037 Base-Backbone interact. energy: -1.639 local terms energy: -736.910539 where: bonds (distance) C4'-P energy: -140.023 bonds (distance) P-C4' energy: -149.988 flat angles C4'-P-C4' energy: -163.949 flat angles P-C4'-P energy: -109.859 tors. eta vs tors. theta energy: -173.092 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: 5 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1914.376815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.376815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.376815 (E_RNA) where: Base-Base interactions energy: -1241.520 where: short stacking energy: -572.000 Base-Backbone interact. energy: -3.057 local terms energy: -669.799856 where: bonds (distance) C4'-P energy: -129.604 bonds (distance) P-C4' energy: -139.497 flat angles C4'-P-C4' energy: -167.544 flat angles P-C4'-P energy: -95.271 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: 7, replica: 7 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1611.200959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.200959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.200959 (E_RNA) where: Base-Base interactions energy: -1013.784 where: short stacking energy: -485.117 Base-Backbone interact. energy: 1.348 local terms energy: -598.765246 where: bonds (distance) C4'-P energy: -148.118 bonds (distance) P-C4' energy: -141.958 flat angles C4'-P-C4' energy: -131.922 flat angles P-C4'-P energy: -76.870 tors. eta vs tors. theta energy: -99.897 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: 8 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1466.082464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.082464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.082464 (E_RNA) where: Base-Base interactions energy: -915.007 where: short stacking energy: -437.226 Base-Backbone interact. energy: 4.451 local terms energy: -555.526781 where: bonds (distance) C4'-P energy: -133.157 bonds (distance) P-C4' energy: -131.440 flat angles C4'-P-C4' energy: -133.639 flat angles P-C4'-P energy: -92.466 tors. eta vs tors. theta energy: -64.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -920.672130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.672130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.672130 (E_RNA) where: Base-Base interactions energy: -467.919 where: short stacking energy: -267.334 Base-Backbone interact. energy: -0.168 local terms energy: -452.585408 where: bonds (distance) C4'-P energy: -129.079 bonds (distance) P-C4' energy: -131.943 flat angles C4'-P-C4' energy: -110.433 flat angles P-C4'-P energy: -85.566 tors. eta vs tors. theta energy: 4.436 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: 10 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -666.963628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.963628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.963628 (E_RNA) where: Base-Base interactions energy: -244.563 where: short stacking energy: -190.185 Base-Backbone interact. energy: -0.866 local terms energy: -421.534496 where: bonds (distance) C4'-P energy: -137.554 bonds (distance) P-C4' energy: -123.990 flat angles C4'-P-C4' energy: -99.054 flat angles P-C4'-P energy: -63.903 tors. eta vs tors. theta energy: 2.965 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: 1, replica: 1 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -2762.646889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.646889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.646889 (E_RNA) where: Base-Base interactions energy: -1879.821 where: short stacking energy: -805.191 Base-Backbone interact. energy: -0.664 local terms energy: -882.161893 where: bonds (distance) C4'-P energy: -161.895 bonds (distance) P-C4' energy: -164.848 flat angles C4'-P-C4' energy: -198.668 flat angles P-C4'-P energy: -122.770 tors. eta vs tors. theta energy: -233.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -2679.344292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.344292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.344292 (E_RNA) where: Base-Base interactions energy: -1835.481 where: short stacking energy: -769.271 Base-Backbone interact. energy: -3.237 local terms energy: -840.625809 where: bonds (distance) C4'-P energy: -159.089 bonds (distance) P-C4' energy: -170.236 flat angles C4'-P-C4' energy: -172.505 flat angles P-C4'-P energy: -120.683 tors. eta vs tors. theta energy: -218.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2549.998393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.998393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.998393 (E_RNA) where: Base-Base interactions energy: -1748.322 where: short stacking energy: -742.514 Base-Backbone interact. energy: 0.355 local terms energy: -802.031155 where: bonds (distance) C4'-P energy: -143.613 bonds (distance) P-C4' energy: -155.023 flat angles C4'-P-C4' energy: -169.602 flat angles P-C4'-P energy: -121.110 tors. eta vs tors. theta energy: -212.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -2341.703041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.703041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.703041 (E_RNA) where: Base-Base interactions energy: -1607.799 where: short stacking energy: -663.486 Base-Backbone interact. energy: -2.934 local terms energy: -730.970301 where: bonds (distance) C4'-P energy: -153.724 bonds (distance) P-C4' energy: -146.609 flat angles C4'-P-C4' energy: -166.610 flat angles P-C4'-P energy: -100.357 tors. eta vs tors. theta energy: -163.671 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: 474 Temperature: 1.100000 Total energy: -2222.899943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.899943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.899943 (E_RNA) where: Base-Base interactions energy: -1515.695 where: short stacking energy: -618.616 Base-Backbone interact. energy: -2.292 local terms energy: -704.912994 where: bonds (distance) C4'-P energy: -137.261 bonds (distance) P-C4' energy: -151.795 flat angles C4'-P-C4' energy: -157.057 flat angles P-C4'-P energy: -108.473 tors. eta vs tors. theta energy: -150.327 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: 5 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -1876.388023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.388023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.388023 (E_RNA) where: Base-Base interactions energy: -1255.165 where: short stacking energy: -553.604 Base-Backbone interact. energy: 0.769 local terms energy: -621.992286 where: bonds (distance) C4'-P energy: -132.879 bonds (distance) P-C4' energy: -140.219 flat angles C4'-P-C4' energy: -146.090 flat angles P-C4'-P energy: -85.320 tors. eta vs tors. theta energy: -117.485 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: 7, replica: 7 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1647.324356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.324356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.324356 (E_RNA) where: Base-Base interactions energy: -1032.160 where: short stacking energy: -471.519 Base-Backbone interact. energy: -1.969 local terms energy: -613.195234 where: bonds (distance) C4'-P energy: -119.532 bonds (distance) P-C4' energy: -151.061 flat angles C4'-P-C4' energy: -154.815 flat angles P-C4'-P energy: -79.384 tors. eta vs tors. theta energy: -108.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1468.784640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.784640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.784640 (E_RNA) where: Base-Base interactions energy: -877.932 where: short stacking energy: -434.933 Base-Backbone interact. energy: 2.091 local terms energy: -592.943546 where: bonds (distance) C4'-P energy: -136.196 bonds (distance) P-C4' energy: -139.069 flat angles C4'-P-C4' energy: -150.861 flat angles P-C4'-P energy: -87.832 tors. eta vs tors. theta energy: -78.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -923.375913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.375913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.375913 (E_RNA) where: Base-Base interactions energy: -477.848 where: short stacking energy: -280.738 Base-Backbone interact. energy: -1.694 local terms energy: -443.834035 where: bonds (distance) C4'-P energy: -124.478 bonds (distance) P-C4' energy: -131.575 flat angles C4'-P-C4' energy: -129.726 flat angles P-C4'-P energy: -63.232 tors. eta vs tors. theta energy: 5.178 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: 10 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -606.448903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.448903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.448903 (E_RNA) where: Base-Base interactions energy: -203.109 where: short stacking energy: -179.852 Base-Backbone interact. energy: 1.474 local terms energy: -404.813479 where: bonds (distance) C4'-P energy: -135.555 bonds (distance) P-C4' energy: -117.433 flat angles C4'-P-C4' energy: -121.827 flat angles P-C4'-P energy: -70.367 tors. eta vs tors. theta energy: 40.369 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: 1 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -2754.990644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.990644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.990644 (E_RNA) where: Base-Base interactions energy: -1889.011 where: short stacking energy: -842.444 Base-Backbone interact. energy: -1.538 local terms energy: -864.441799 where: bonds (distance) C4'-P energy: -145.568 bonds (distance) P-C4' energy: -159.192 flat angles C4'-P-C4' energy: -191.067 flat angles P-C4'-P energy: -128.010 tors. eta vs tors. theta energy: -240.605 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: 475 Temperature: 0.950000 Total energy: -2615.637580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.637580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.637580 (E_RNA) where: Base-Base interactions energy: -1767.737 where: short stacking energy: -762.825 Base-Backbone interact. energy: -3.431 local terms energy: -844.469296 where: bonds (distance) C4'-P energy: -152.412 bonds (distance) P-C4' energy: -178.448 flat angles C4'-P-C4' energy: -179.250 flat angles P-C4'-P energy: -130.626 tors. eta vs tors. theta energy: -203.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2549.320877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.320877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.320877 (E_RNA) where: Base-Base interactions energy: -1757.102 where: short stacking energy: -721.805 Base-Backbone interact. energy: -3.820 local terms energy: -788.397915 where: bonds (distance) C4'-P energy: -152.604 bonds (distance) P-C4' energy: -143.139 flat angles C4'-P-C4' energy: -172.411 flat angles P-C4'-P energy: -122.247 tors. eta vs tors. theta energy: -197.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -2315.939912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.939912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.939912 (E_RNA) where: Base-Base interactions energy: -1583.098 where: short stacking energy: -686.888 Base-Backbone interact. energy: -0.722 local terms energy: -732.120285 where: bonds (distance) C4'-P energy: -141.275 bonds (distance) P-C4' energy: -135.502 flat angles C4'-P-C4' energy: -171.831 flat angles P-C4'-P energy: -102.614 tors. eta vs tors. theta energy: -180.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -2182.204549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.204549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.204549 (E_RNA) where: Base-Base interactions energy: -1495.833 where: short stacking energy: -598.031 Base-Backbone interact. energy: -4.775 local terms energy: -681.596881 where: bonds (distance) C4'-P energy: -132.921 bonds (distance) P-C4' energy: -147.090 flat angles C4'-P-C4' energy: -161.161 flat angles P-C4'-P energy: -92.903 tors. eta vs tors. theta energy: -147.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1919.674574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.674574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.674574 (E_RNA) where: Base-Base interactions energy: -1260.997 where: short stacking energy: -580.525 Base-Backbone interact. energy: 1.134 local terms energy: -659.811305 where: bonds (distance) C4'-P energy: -139.662 bonds (distance) P-C4' energy: -161.563 flat angles C4'-P-C4' energy: -140.013 flat angles P-C4'-P energy: -90.584 tors. eta vs tors. theta energy: -127.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1648.135316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.135316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.135316 (E_RNA) where: Base-Base interactions energy: -1056.222 where: short stacking energy: -506.844 Base-Backbone interact. energy: -4.232 local terms energy: -587.680836 where: bonds (distance) C4'-P energy: -136.411 bonds (distance) P-C4' energy: -133.098 flat angles C4'-P-C4' energy: -133.924 flat angles P-C4'-P energy: -83.110 tors. eta vs tors. theta energy: -101.138 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: 8 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1468.393074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.393074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.393074 (E_RNA) where: Base-Base interactions energy: -906.450 where: short stacking energy: -445.452 Base-Backbone interact. energy: -2.943 local terms energy: -559.000366 where: bonds (distance) C4'-P energy: -113.537 bonds (distance) P-C4' energy: -151.797 flat angles C4'-P-C4' energy: -146.658 flat angles P-C4'-P energy: -71.141 tors. eta vs tors. theta energy: -75.868 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: 9, replica: 6 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -918.402588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.402588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.402588 (E_RNA) where: Base-Base interactions energy: -478.066 where: short stacking energy: -297.820 Base-Backbone interact. energy: 1.385 local terms energy: -441.721637 where: bonds (distance) C4'-P energy: -103.124 bonds (distance) P-C4' energy: -134.950 flat angles C4'-P-C4' energy: -98.315 flat angles P-C4'-P energy: -76.923 tors. eta vs tors. theta energy: -28.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -649.728717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.728717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.728717 (E_RNA) where: Base-Base interactions energy: -240.691 where: short stacking energy: -177.772 Base-Backbone interact. energy: 3.619 local terms energy: -412.656456 where: bonds (distance) C4'-P energy: -109.876 bonds (distance) P-C4' energy: -142.809 flat angles C4'-P-C4' energy: -117.198 flat angles P-C4'-P energy: -61.853 tors. eta vs tors. theta energy: 19.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -2751.252978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.252978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.252978 (E_RNA) where: Base-Base interactions energy: -1868.220 where: short stacking energy: -824.417 Base-Backbone interact. energy: -2.312 local terms energy: -880.720948 where: bonds (distance) C4'-P energy: -172.510 bonds (distance) P-C4' energy: -157.703 flat angles C4'-P-C4' energy: -183.161 flat angles P-C4'-P energy: -124.478 tors. eta vs tors. theta energy: -242.870 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: 2, replica: 2 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -2586.654429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.654429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.654429 (E_RNA) where: Base-Base interactions energy: -1803.548 where: short stacking energy: -757.778 Base-Backbone interact. energy: -3.306 local terms energy: -779.800247 where: bonds (distance) C4'-P energy: -147.943 bonds (distance) P-C4' energy: -160.316 flat angles C4'-P-C4' energy: -165.671 flat angles P-C4'-P energy: -112.664 tors. eta vs tors. theta energy: -193.205 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: 3, replica: 3 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2514.068005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.068005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.068005 (E_RNA) where: Base-Base interactions energy: -1714.030 where: short stacking energy: -718.036 Base-Backbone interact. energy: -7.654 local terms energy: -792.384095 where: bonds (distance) C4'-P energy: -152.666 bonds (distance) P-C4' energy: -160.070 flat angles C4'-P-C4' energy: -177.438 flat angles P-C4'-P energy: -122.509 tors. eta vs tors. theta energy: -179.701 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: 4, replica: 9 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -2309.667310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.667310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.667310 (E_RNA) where: Base-Base interactions energy: -1552.597 where: short stacking energy: -697.024 Base-Backbone interact. energy: -2.141 local terms energy: -754.929649 where: bonds (distance) C4'-P energy: -138.788 bonds (distance) P-C4' energy: -157.024 flat angles C4'-P-C4' energy: -164.766 flat angles P-C4'-P energy: -106.257 tors. eta vs tors. theta energy: -188.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -2208.643572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.643572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.643572 (E_RNA) where: Base-Base interactions energy: -1513.961 where: short stacking energy: -631.288 Base-Backbone interact. energy: -0.777 local terms energy: -693.905295 where: bonds (distance) C4'-P energy: -134.286 bonds (distance) P-C4' energy: -144.510 flat angles C4'-P-C4' energy: -152.622 flat angles P-C4'-P energy: -97.196 tors. eta vs tors. theta energy: -165.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1833.077497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.077497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.077497 (E_RNA) where: Base-Base interactions energy: -1176.767 where: short stacking energy: -493.677 Base-Backbone interact. energy: 6.094 local terms energy: -662.404064 where: bonds (distance) C4'-P energy: -127.700 bonds (distance) P-C4' energy: -155.626 flat angles C4'-P-C4' energy: -164.837 flat angles P-C4'-P energy: -106.012 tors. eta vs tors. theta energy: -108.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1658.543299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.543299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.543299 (E_RNA) where: Base-Base interactions energy: -1075.467 where: short stacking energy: -480.529 Base-Backbone interact. energy: 7.249 local terms energy: -590.324855 where: bonds (distance) C4'-P energy: -121.130 bonds (distance) P-C4' energy: -149.060 flat angles C4'-P-C4' energy: -138.494 flat angles P-C4'-P energy: -80.601 tors. eta vs tors. theta energy: -101.039 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: 8 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1457.977731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.977731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.977731 (E_RNA) where: Base-Base interactions energy: -905.318 where: short stacking energy: -402.399 Base-Backbone interact. energy: 1.732 local terms energy: -554.391668 where: bonds (distance) C4'-P energy: -139.290 bonds (distance) P-C4' energy: -139.841 flat angles C4'-P-C4' energy: -140.350 flat angles P-C4'-P energy: -76.424 tors. eta vs tors. theta energy: -58.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -922.555960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.555960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.555960 (E_RNA) where: Base-Base interactions energy: -452.781 where: short stacking energy: -285.980 Base-Backbone interact. energy: -1.110 local terms energy: -468.665289 where: bonds (distance) C4'-P energy: -124.563 bonds (distance) P-C4' energy: -149.275 flat angles C4'-P-C4' energy: -105.083 flat angles P-C4'-P energy: -72.358 tors. eta vs tors. theta energy: -17.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -617.297200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.297200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.297200 (E_RNA) where: Base-Base interactions energy: -234.985 where: short stacking energy: -167.597 Base-Backbone interact. energy: 3.025 local terms energy: -385.337101 where: bonds (distance) C4'-P energy: -121.501 bonds (distance) P-C4' energy: -132.316 flat angles C4'-P-C4' energy: -100.984 flat angles P-C4'-P energy: -77.452 tors. eta vs tors. theta energy: 46.916 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: 1 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -2752.413103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.413103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.413103 (E_RNA) where: Base-Base interactions energy: -1870.479 where: short stacking energy: -822.150 Base-Backbone interact. energy: -4.071 local terms energy: -877.863365 where: bonds (distance) C4'-P energy: -163.384 bonds (distance) P-C4' energy: -165.080 flat angles C4'-P-C4' energy: -189.432 flat angles P-C4'-P energy: -131.510 tors. eta vs tors. theta energy: -228.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -2622.590354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.590354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.590354 (E_RNA) where: Base-Base interactions energy: -1814.879 where: short stacking energy: -797.606 Base-Backbone interact. energy: -5.522 local terms energy: -802.189771 where: bonds (distance) C4'-P energy: -151.754 bonds (distance) P-C4' energy: -144.893 flat angles C4'-P-C4' energy: -171.309 flat angles P-C4'-P energy: -109.611 tors. eta vs tors. theta energy: -224.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2494.027984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.027984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.027984 (E_RNA) where: Base-Base interactions energy: -1706.405 where: short stacking energy: -702.032 Base-Backbone interact. energy: -1.221 local terms energy: -786.402652 where: bonds (distance) C4'-P energy: -156.478 bonds (distance) P-C4' energy: -159.835 flat angles C4'-P-C4' energy: -161.275 flat angles P-C4'-P energy: -112.311 tors. eta vs tors. theta energy: -196.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -2322.833801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.833801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.833801 (E_RNA) where: Base-Base interactions energy: -1570.738 where: short stacking energy: -664.509 Base-Backbone interact. energy: -2.081 local terms energy: -750.015019 where: bonds (distance) C4'-P energy: -154.093 bonds (distance) P-C4' energy: -164.622 flat angles C4'-P-C4' energy: -165.704 flat angles P-C4'-P energy: -94.187 tors. eta vs tors. theta energy: -171.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -2201.281078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.281078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.281078 (E_RNA) where: Base-Base interactions energy: -1446.610 where: short stacking energy: -608.206 Base-Backbone interact. energy: 0.050 local terms energy: -754.720993 where: bonds (distance) C4'-P energy: -148.487 bonds (distance) P-C4' energy: -147.118 flat angles C4'-P-C4' energy: -174.200 flat angles P-C4'-P energy: -113.234 tors. eta vs tors. theta energy: -171.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1846.400298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.400298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.400298 (E_RNA) where: Base-Base interactions energy: -1211.839 where: short stacking energy: -531.743 Base-Backbone interact. energy: -3.447 local terms energy: -631.114793 where: bonds (distance) C4'-P energy: -123.494 bonds (distance) P-C4' energy: -146.876 flat angles C4'-P-C4' energy: -157.745 flat angles P-C4'-P energy: -85.115 tors. eta vs tors. theta energy: -117.885 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: 7, replica: 7 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1653.528561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.528561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.528561 (E_RNA) where: Base-Base interactions energy: -1053.728 where: short stacking energy: -519.439 Base-Backbone interact. energy: -0.830 local terms energy: -598.970384 where: bonds (distance) C4'-P energy: -126.550 bonds (distance) P-C4' energy: -133.510 flat angles C4'-P-C4' energy: -138.319 flat angles P-C4'-P energy: -92.962 tors. eta vs tors. theta energy: -107.629 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: 8 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1402.060451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.060451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.060451 (E_RNA) where: Base-Base interactions energy: -832.255 where: short stacking energy: -392.422 Base-Backbone interact. energy: -1.947 local terms energy: -567.858750 where: bonds (distance) C4'-P energy: -133.641 bonds (distance) P-C4' energy: -146.373 flat angles C4'-P-C4' energy: -140.614 flat angles P-C4'-P energy: -89.806 tors. eta vs tors. theta energy: -57.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -926.917058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.917058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.917058 (E_RNA) where: Base-Base interactions energy: -487.258 where: short stacking energy: -269.999 Base-Backbone interact. energy: -0.849 local terms energy: -438.810275 where: bonds (distance) C4'-P energy: -128.280 bonds (distance) P-C4' energy: -139.701 flat angles C4'-P-C4' energy: -120.699 flat angles P-C4'-P energy: -57.549 tors. eta vs tors. theta energy: 7.418 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: 10 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -632.106236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.106236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.106236 (E_RNA) where: Base-Base interactions energy: -249.449 where: short stacking energy: -174.130 Base-Backbone interact. energy: 0.194 local terms energy: -382.851561 where: bonds (distance) C4'-P energy: -126.558 bonds (distance) P-C4' energy: -138.899 flat angles C4'-P-C4' energy: -88.288 flat angles P-C4'-P energy: -63.417 tors. eta vs tors. theta energy: 34.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -2741.637536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.637536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.637536 (E_RNA) where: Base-Base interactions energy: -1856.035 where: short stacking energy: -816.357 Base-Backbone interact. energy: -2.272 local terms energy: -883.330195 where: bonds (distance) C4'-P energy: -160.747 bonds (distance) P-C4' energy: -165.922 flat angles C4'-P-C4' energy: -197.059 flat angles P-C4'-P energy: -127.589 tors. eta vs tors. theta energy: -232.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -2642.956266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.956266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.956266 (E_RNA) where: Base-Base interactions energy: -1812.513 where: short stacking energy: -768.450 Base-Backbone interact. energy: -3.795 local terms energy: -826.648060 where: bonds (distance) C4'-P energy: -147.611 bonds (distance) P-C4' energy: -148.381 flat angles C4'-P-C4' energy: -182.905 flat angles P-C4'-P energy: -123.835 tors. eta vs tors. theta energy: -223.916 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: 3 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2522.471250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.471250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.471250 (E_RNA) where: Base-Base interactions energy: -1753.681 where: short stacking energy: -748.086 Base-Backbone interact. energy: 2.338 local terms energy: -771.127629 where: bonds (distance) C4'-P energy: -141.985 bonds (distance) P-C4' energy: -149.170 flat angles C4'-P-C4' energy: -179.692 flat angles P-C4'-P energy: -91.818 tors. eta vs tors. theta energy: -208.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2335.763358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.763358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.763358 (E_RNA) where: Base-Base interactions energy: -1567.502 where: short stacking energy: -679.345 Base-Backbone interact. energy: -1.678 local terms energy: -766.582868 where: bonds (distance) C4'-P energy: -145.380 bonds (distance) P-C4' energy: -164.206 flat angles C4'-P-C4' energy: -183.818 flat angles P-C4'-P energy: -89.049 tors. eta vs tors. theta energy: -184.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -2221.009999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.009999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.009999 (E_RNA) where: Base-Base interactions energy: -1491.875 where: short stacking energy: -639.074 Base-Backbone interact. energy: -2.707 local terms energy: -726.428156 where: bonds (distance) C4'-P energy: -144.750 bonds (distance) P-C4' energy: -155.993 flat angles C4'-P-C4' energy: -150.250 flat angles P-C4'-P energy: -108.220 tors. eta vs tors. theta energy: -167.214 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: 5 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1817.567018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.567018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.567018 (E_RNA) where: Base-Base interactions energy: -1183.903 where: short stacking energy: -544.243 Base-Backbone interact. energy: -4.110 local terms energy: -629.553574 where: bonds (distance) C4'-P energy: -136.327 bonds (distance) P-C4' energy: -132.985 flat angles C4'-P-C4' energy: -149.000 flat angles P-C4'-P energy: -84.926 tors. eta vs tors. theta energy: -126.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1630.873144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.873144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.873144 (E_RNA) where: Base-Base interactions energy: -1007.893 where: short stacking energy: -483.021 Base-Backbone interact. energy: -1.269 local terms energy: -621.711246 where: bonds (distance) C4'-P energy: -131.151 bonds (distance) P-C4' energy: -149.384 flat angles C4'-P-C4' energy: -147.767 flat angles P-C4'-P energy: -93.851 tors. eta vs tors. theta energy: -99.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1382.468611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.468611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.468611 (E_RNA) where: Base-Base interactions energy: -818.994 where: short stacking energy: -399.475 Base-Backbone interact. energy: -2.581 local terms energy: -560.893765 where: bonds (distance) C4'-P energy: -122.823 bonds (distance) P-C4' energy: -161.249 flat angles C4'-P-C4' energy: -134.869 flat angles P-C4'-P energy: -80.212 tors. eta vs tors. theta energy: -61.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -958.160505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.160505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.160505 (E_RNA) where: Base-Base interactions energy: -475.558 where: short stacking energy: -280.441 Base-Backbone interact. energy: 3.076 local terms energy: -485.678604 where: bonds (distance) C4'-P energy: -126.019 bonds (distance) P-C4' energy: -151.267 flat angles C4'-P-C4' energy: -100.853 flat angles P-C4'-P energy: -84.882 tors. eta vs tors. theta energy: -22.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -637.920643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.920643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.920643 (E_RNA) where: Base-Base interactions energy: -225.349 where: short stacking energy: -173.415 Base-Backbone interact. energy: 0.238 local terms energy: -412.809267 where: bonds (distance) C4'-P energy: -128.203 bonds (distance) P-C4' energy: -145.281 flat angles C4'-P-C4' energy: -106.539 flat angles P-C4'-P energy: -54.925 tors. eta vs tors. theta energy: 22.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -2816.431907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.431907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.431907 (E_RNA) where: Base-Base interactions energy: -1933.109 where: short stacking energy: -850.512 Base-Backbone interact. energy: -2.289 local terms energy: -881.034228 where: bonds (distance) C4'-P energy: -170.059 bonds (distance) P-C4' energy: -164.278 flat angles C4'-P-C4' energy: -185.168 flat angles P-C4'-P energy: -124.958 tors. eta vs tors. theta energy: -236.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -2650.007765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.007765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.007765 (E_RNA) where: Base-Base interactions energy: -1810.747 where: short stacking energy: -782.360 Base-Backbone interact. energy: -4.744 local terms energy: -834.517602 where: bonds (distance) C4'-P energy: -149.206 bonds (distance) P-C4' energy: -158.929 flat angles C4'-P-C4' energy: -177.443 flat angles P-C4'-P energy: -129.285 tors. eta vs tors. theta energy: -219.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -2518.478468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.478468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.478468 (E_RNA) where: Base-Base interactions energy: -1725.048 where: short stacking energy: -731.788 Base-Backbone interact. energy: -2.416 local terms energy: -791.014769 where: bonds (distance) C4'-P energy: -142.294 bonds (distance) P-C4' energy: -161.138 flat angles C4'-P-C4' energy: -161.801 flat angles P-C4'-P energy: -120.258 tors. eta vs tors. theta energy: -205.523 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: 9 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -2405.908562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.908562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.908562 (E_RNA) where: Base-Base interactions energy: -1653.557 where: short stacking energy: -730.589 Base-Backbone interact. energy: 2.241 local terms energy: -754.592519 where: bonds (distance) C4'-P energy: -126.574 bonds (distance) P-C4' energy: -158.100 flat angles C4'-P-C4' energy: -158.322 flat angles P-C4'-P energy: -114.928 tors. eta vs tors. theta energy: -196.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -2221.211473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.211473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.211473 (E_RNA) where: Base-Base interactions energy: -1500.959 where: short stacking energy: -642.888 Base-Backbone interact. energy: 1.047 local terms energy: -721.300251 where: bonds (distance) C4'-P energy: -139.799 bonds (distance) P-C4' energy: -126.976 flat angles C4'-P-C4' energy: -180.255 flat angles P-C4'-P energy: -106.351 tors. eta vs tors. theta energy: -167.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1828.013950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.013950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.013950 (E_RNA) where: Base-Base interactions energy: -1168.031 where: short stacking energy: -532.125 Base-Backbone interact. energy: -7.873 local terms energy: -652.110650 where: bonds (distance) C4'-P energy: -120.113 bonds (distance) P-C4' energy: -160.330 flat angles C4'-P-C4' energy: -141.101 flat angles P-C4'-P energy: -104.281 tors. eta vs tors. theta energy: -126.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1600.211587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.211587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.211587 (E_RNA) where: Base-Base interactions energy: -1006.735 where: short stacking energy: -483.570 Base-Backbone interact. energy: 0.812 local terms energy: -594.288933 where: bonds (distance) C4'-P energy: -119.600 bonds (distance) P-C4' energy: -133.977 flat angles C4'-P-C4' energy: -141.059 flat angles P-C4'-P energy: -100.331 tors. eta vs tors. theta energy: -99.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1361.474639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.474639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.474639 (E_RNA) where: Base-Base interactions energy: -815.402 where: short stacking energy: -380.934 Base-Backbone interact. energy: 2.387 local terms energy: -548.459457 where: bonds (distance) C4'-P energy: -141.618 bonds (distance) P-C4' energy: -133.974 flat angles C4'-P-C4' energy: -139.318 flat angles P-C4'-P energy: -89.053 tors. eta vs tors. theta energy: -44.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -948.681649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.681649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.681649 (E_RNA) where: Base-Base interactions energy: -484.478 where: short stacking energy: -258.682 Base-Backbone interact. energy: 6.430 local terms energy: -470.633597 where: bonds (distance) C4'-P energy: -134.477 bonds (distance) P-C4' energy: -154.322 flat angles C4'-P-C4' energy: -128.339 flat angles P-C4'-P energy: -57.769 tors. eta vs tors. theta energy: 4.273 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: 10 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -608.308031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.308031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.308031 (E_RNA) where: Base-Base interactions energy: -200.547 where: short stacking energy: -154.331 Base-Backbone interact. energy: 3.668 local terms energy: -411.428385 where: bonds (distance) C4'-P energy: -150.920 bonds (distance) P-C4' energy: -132.167 flat angles C4'-P-C4' energy: -119.850 flat angles P-C4'-P energy: -48.254 tors. eta vs tors. theta energy: 39.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -2768.035159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.035159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.035159 (E_RNA) where: Base-Base interactions energy: -1902.808 where: short stacking energy: -808.204 Base-Backbone interact. energy: 4.438 local terms energy: -869.664474 where: bonds (distance) C4'-P energy: -152.745 bonds (distance) P-C4' energy: -163.362 flat angles C4'-P-C4' energy: -194.652 flat angles P-C4'-P energy: -121.940 tors. eta vs tors. theta energy: -236.965 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: 2 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -2663.744675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.744675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.744675 (E_RNA) where: Base-Base interactions energy: -1792.092 where: short stacking energy: -785.918 Base-Backbone interact. energy: -2.313 local terms energy: -869.339423 where: bonds (distance) C4'-P energy: -152.433 bonds (distance) P-C4' energy: -178.551 flat angles C4'-P-C4' energy: -183.242 flat angles P-C4'-P energy: -129.066 tors. eta vs tors. theta energy: -226.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2561.614768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.614768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.614768 (E_RNA) where: Base-Base interactions energy: -1762.753 where: short stacking energy: -748.326 Base-Backbone interact. energy: -3.172 local terms energy: -795.689443 where: bonds (distance) C4'-P energy: -155.788 bonds (distance) P-C4' energy: -162.666 flat angles C4'-P-C4' energy: -165.514 flat angles P-C4'-P energy: -88.776 tors. eta vs tors. theta energy: -222.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -2379.184766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.184766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.184766 (E_RNA) where: Base-Base interactions energy: -1619.009 where: short stacking energy: -713.033 Base-Backbone interact. energy: -2.594 local terms energy: -757.581930 where: bonds (distance) C4'-P energy: -151.807 bonds (distance) P-C4' energy: -146.770 flat angles C4'-P-C4' energy: -167.224 flat angles P-C4'-P energy: -104.770 tors. eta vs tors. theta energy: -187.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -2257.705909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.705909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.705909 (E_RNA) where: Base-Base interactions energy: -1545.834 where: short stacking energy: -685.813 Base-Backbone interact. energy: -0.667 local terms energy: -711.205311 where: bonds (distance) C4'-P energy: -144.661 bonds (distance) P-C4' energy: -137.058 flat angles C4'-P-C4' energy: -152.720 flat angles P-C4'-P energy: -96.777 tors. eta vs tors. theta energy: -179.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1807.590602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.590602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.590602 (E_RNA) where: Base-Base interactions energy: -1180.710 where: short stacking energy: -534.999 Base-Backbone interact. energy: 1.506 local terms energy: -628.387209 where: bonds (distance) C4'-P energy: -125.971 bonds (distance) P-C4' energy: -149.242 flat angles C4'-P-C4' energy: -144.357 flat angles P-C4'-P energy: -92.526 tors. eta vs tors. theta energy: -116.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1636.714051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.714051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.714051 (E_RNA) where: Base-Base interactions energy: -1042.011 where: short stacking energy: -509.150 Base-Backbone interact. energy: -1.209 local terms energy: -593.493874 where: bonds (distance) C4'-P energy: -133.705 bonds (distance) P-C4' energy: -138.471 flat angles C4'-P-C4' energy: -129.340 flat angles P-C4'-P energy: -86.863 tors. eta vs tors. theta energy: -105.115 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: 8 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1364.695004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.695004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.695004 (E_RNA) where: Base-Base interactions energy: -826.553 where: short stacking energy: -398.225 Base-Backbone interact. energy: 1.432 local terms energy: -539.573841 where: bonds (distance) C4'-P energy: -137.607 bonds (distance) P-C4' energy: -124.198 flat angles C4'-P-C4' energy: -132.899 flat angles P-C4'-P energy: -73.948 tors. eta vs tors. theta energy: -70.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -935.583218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.583218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.583218 (E_RNA) where: Base-Base interactions energy: -471.327 where: short stacking energy: -263.956 Base-Backbone interact. energy: -4.396 local terms energy: -459.860271 where: bonds (distance) C4'-P energy: -133.544 bonds (distance) P-C4' energy: -126.744 flat angles C4'-P-C4' energy: -126.648 flat angles P-C4'-P energy: -74.909 tors. eta vs tors. theta energy: 1.984 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: 10 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -609.019826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.019826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.019826 (E_RNA) where: Base-Base interactions energy: -199.156 where: short stacking energy: -165.967 Base-Backbone interact. energy: 0.840 local terms energy: -410.704156 where: bonds (distance) C4'-P energy: -129.653 bonds (distance) P-C4' energy: -139.865 flat angles C4'-P-C4' energy: -95.999 flat angles P-C4'-P energy: -72.030 tors. eta vs tors. theta energy: 26.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -2769.451767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.451767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.451767 (E_RNA) where: Base-Base interactions energy: -1910.706 where: short stacking energy: -839.311 Base-Backbone interact. energy: 0.749 local terms energy: -859.495127 where: bonds (distance) C4'-P energy: -159.872 bonds (distance) P-C4' energy: -153.174 flat angles C4'-P-C4' energy: -185.428 flat angles P-C4'-P energy: -124.487 tors. eta vs tors. theta energy: -236.534 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: 481 Temperature: 0.950000 Total energy: -2659.509519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.509519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.509519 (E_RNA) where: Base-Base interactions energy: -1822.747 where: short stacking energy: -775.697 Base-Backbone interact. energy: -8.319 local terms energy: -828.442784 where: bonds (distance) C4'-P energy: -148.378 bonds (distance) P-C4' energy: -151.807 flat angles C4'-P-C4' energy: -188.156 flat angles P-C4'-P energy: -125.428 tors. eta vs tors. theta energy: -214.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -2570.457126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.457126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.457126 (E_RNA) where: Base-Base interactions energy: -1766.414 where: short stacking energy: -754.252 Base-Backbone interact. energy: -6.490 local terms energy: -797.553380 where: bonds (distance) C4'-P energy: -133.330 bonds (distance) P-C4' energy: -163.494 flat angles C4'-P-C4' energy: -178.548 flat angles P-C4'-P energy: -115.321 tors. eta vs tors. theta energy: -206.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -2379.021832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.021832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.021832 (E_RNA) where: Base-Base interactions energy: -1626.588 where: short stacking energy: -690.829 Base-Backbone interact. energy: -1.002 local terms energy: -751.431943 where: bonds (distance) C4'-P energy: -130.424 bonds (distance) P-C4' energy: -149.996 flat angles C4'-P-C4' energy: -169.814 flat angles P-C4'-P energy: -122.895 tors. eta vs tors. theta energy: -178.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -2241.194739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.194739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.194739 (E_RNA) where: Base-Base interactions energy: -1477.041 where: short stacking energy: -643.622 Base-Backbone interact. energy: -2.885 local terms energy: -761.268896 where: bonds (distance) C4'-P energy: -135.671 bonds (distance) P-C4' energy: -161.580 flat angles C4'-P-C4' energy: -172.627 flat angles P-C4'-P energy: -121.767 tors. eta vs tors. theta energy: -169.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1867.730180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.730180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.730180 (E_RNA) where: Base-Base interactions energy: -1224.401 where: short stacking energy: -543.495 Base-Backbone interact. energy: 4.375 local terms energy: -647.704687 where: bonds (distance) C4'-P energy: -145.840 bonds (distance) P-C4' energy: -152.147 flat angles C4'-P-C4' energy: -141.838 flat angles P-C4'-P energy: -94.839 tors. eta vs tors. theta energy: -113.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1669.620095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.620095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.620095 (E_RNA) where: Base-Base interactions energy: -1050.369 where: short stacking energy: -496.868 Base-Backbone interact. energy: -2.527 local terms energy: -616.723928 where: bonds (distance) C4'-P energy: -134.489 bonds (distance) P-C4' energy: -137.344 flat angles C4'-P-C4' energy: -147.001 flat angles P-C4'-P energy: -87.284 tors. eta vs tors. theta energy: -110.605 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: 8 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1328.465645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.465645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.465645 (E_RNA) where: Base-Base interactions energy: -780.838 where: short stacking energy: -392.928 Base-Backbone interact. energy: 2.108 local terms energy: -549.735974 where: bonds (distance) C4'-P energy: -132.406 bonds (distance) P-C4' energy: -138.243 flat angles C4'-P-C4' energy: -143.094 flat angles P-C4'-P energy: -73.091 tors. eta vs tors. theta energy: -62.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -959.403780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.403780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.403780 (E_RNA) where: Base-Base interactions energy: -517.189 where: short stacking energy: -321.088 Base-Backbone interact. energy: 2.963 local terms energy: -445.177812 where: bonds (distance) C4'-P energy: -127.234 bonds (distance) P-C4' energy: -125.695 flat angles C4'-P-C4' energy: -106.408 flat angles P-C4'-P energy: -78.302 tors. eta vs tors. theta energy: -7.539 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: 10 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -607.125793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.125793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.125793 (E_RNA) where: Base-Base interactions energy: -191.736 where: short stacking energy: -146.808 Base-Backbone interact. energy: 4.872 local terms energy: -420.262254 where: bonds (distance) C4'-P energy: -120.907 bonds (distance) P-C4' energy: -143.429 flat angles C4'-P-C4' energy: -110.322 flat angles P-C4'-P energy: -78.316 tors. eta vs tors. theta energy: 32.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -2737.058100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.058100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.058100 (E_RNA) where: Base-Base interactions energy: -1852.241 where: short stacking energy: -822.883 Base-Backbone interact. energy: -2.367 local terms energy: -882.449607 where: bonds (distance) C4'-P energy: -173.365 bonds (distance) P-C4' energy: -172.309 flat angles C4'-P-C4' energy: -192.200 flat angles P-C4'-P energy: -116.217 tors. eta vs tors. theta energy: -228.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -2679.673720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.673720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.673720 (E_RNA) where: Base-Base interactions energy: -1849.288 where: short stacking energy: -783.369 Base-Backbone interact. energy: 1.661 local terms energy: -832.046972 where: bonds (distance) C4'-P energy: -159.099 bonds (distance) P-C4' energy: -148.355 flat angles C4'-P-C4' energy: -182.306 flat angles P-C4'-P energy: -120.071 tors. eta vs tors. theta energy: -222.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2566.606354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.606354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.606354 (E_RNA) where: Base-Base interactions energy: -1737.699 where: short stacking energy: -774.919 Base-Backbone interact. energy: -0.611 local terms energy: -828.295645 where: bonds (distance) C4'-P energy: -153.949 bonds (distance) P-C4' energy: -150.482 flat angles C4'-P-C4' energy: -181.956 flat angles P-C4'-P energy: -122.619 tors. eta vs tors. theta energy: -219.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -2329.413671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.413671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.413671 (E_RNA) where: Base-Base interactions energy: -1585.108 where: short stacking energy: -669.876 Base-Backbone interact. energy: -2.505 local terms energy: -741.801339 where: bonds (distance) C4'-P energy: -153.258 bonds (distance) P-C4' energy: -154.751 flat angles C4'-P-C4' energy: -163.108 flat angles P-C4'-P energy: -106.279 tors. eta vs tors. theta energy: -164.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -2251.818215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.818215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.818215 (E_RNA) where: Base-Base interactions energy: -1526.720 where: short stacking energy: -668.292 Base-Backbone interact. energy: 6.271 local terms energy: -731.369167 where: bonds (distance) C4'-P energy: -142.879 bonds (distance) P-C4' energy: -144.294 flat angles C4'-P-C4' energy: -168.713 flat angles P-C4'-P energy: -100.374 tors. eta vs tors. theta energy: -175.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1927.088974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.088974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.088974 (E_RNA) where: Base-Base interactions energy: -1263.503 where: short stacking energy: -578.033 Base-Backbone interact. energy: -1.562 local terms energy: -662.023620 where: bonds (distance) C4'-P energy: -128.724 bonds (distance) P-C4' energy: -148.256 flat angles C4'-P-C4' energy: -162.097 flat angles P-C4'-P energy: -81.247 tors. eta vs tors. theta energy: -141.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1626.532569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.532569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.532569 (E_RNA) where: Base-Base interactions energy: -1057.742 where: short stacking energy: -493.669 Base-Backbone interact. energy: -0.769 local terms energy: -568.021843 where: bonds (distance) C4'-P energy: -128.833 bonds (distance) P-C4' energy: -124.580 flat angles C4'-P-C4' energy: -140.402 flat angles P-C4'-P energy: -100.761 tors. eta vs tors. theta energy: -73.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -1347.954822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.954822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.954822 (E_RNA) where: Base-Base interactions energy: -832.232 where: short stacking energy: -403.488 Base-Backbone interact. energy: -2.258 local terms energy: -513.464993 where: bonds (distance) C4'-P energy: -122.323 bonds (distance) P-C4' energy: -129.720 flat angles C4'-P-C4' energy: -134.010 flat angles P-C4'-P energy: -80.035 tors. eta vs tors. theta energy: -47.377 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: 9, replica: 6 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -906.002514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.002514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.002514 (E_RNA) where: Base-Base interactions energy: -506.240 where: short stacking energy: -245.245 Base-Backbone interact. energy: -0.032 local terms energy: -399.729602 where: bonds (distance) C4'-P energy: -118.085 bonds (distance) P-C4' energy: -136.060 flat angles C4'-P-C4' energy: -106.112 flat angles P-C4'-P energy: -46.644 tors. eta vs tors. theta energy: 7.171 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: 10 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -624.105024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.105024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.105024 (E_RNA) where: Base-Base interactions energy: -233.249 where: short stacking energy: -198.445 Base-Backbone interact. energy: 1.175 local terms energy: -392.031749 where: bonds (distance) C4'-P energy: -122.896 bonds (distance) P-C4' energy: -135.366 flat angles C4'-P-C4' energy: -108.535 flat angles P-C4'-P energy: -49.062 tors. eta vs tors. theta energy: 23.826 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: 1 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -2753.831786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.831786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.831786 (E_RNA) where: Base-Base interactions energy: -1883.113 where: short stacking energy: -860.845 Base-Backbone interact. energy: 6.558 local terms energy: -877.277049 where: bonds (distance) C4'-P energy: -156.943 bonds (distance) P-C4' energy: -164.670 flat angles C4'-P-C4' energy: -186.807 flat angles P-C4'-P energy: -136.450 tors. eta vs tors. theta energy: -232.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -2683.573367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.573367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.573367 (E_RNA) where: Base-Base interactions energy: -1836.381 where: short stacking energy: -776.031 Base-Backbone interact. energy: -3.827 local terms energy: -843.365504 where: bonds (distance) C4'-P energy: -164.436 bonds (distance) P-C4' energy: -170.868 flat angles C4'-P-C4' energy: -170.058 flat angles P-C4'-P energy: -123.157 tors. eta vs tors. theta energy: -214.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -2506.431125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.431125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.431125 (E_RNA) where: Base-Base interactions energy: -1730.386 where: short stacking energy: -735.417 Base-Backbone interact. energy: -3.717 local terms energy: -772.328177 where: bonds (distance) C4'-P energy: -137.071 bonds (distance) P-C4' energy: -143.443 flat angles C4'-P-C4' energy: -167.268 flat angles P-C4'-P energy: -116.014 tors. eta vs tors. theta energy: -208.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -2393.623776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.623776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.623776 (E_RNA) where: Base-Base interactions energy: -1634.910 where: short stacking energy: -667.216 Base-Backbone interact. energy: 0.141 local terms energy: -758.854836 where: bonds (distance) C4'-P energy: -156.722 bonds (distance) P-C4' energy: -163.082 flat angles C4'-P-C4' energy: -165.642 flat angles P-C4'-P energy: -104.340 tors. eta vs tors. theta energy: -169.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -2280.017597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.017597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.017597 (E_RNA) where: Base-Base interactions energy: -1570.111 where: short stacking energy: -652.957 Base-Backbone interact. energy: -0.985 local terms energy: -708.921675 where: bonds (distance) C4'-P energy: -112.542 bonds (distance) P-C4' energy: -144.853 flat angles C4'-P-C4' energy: -166.738 flat angles P-C4'-P energy: -104.502 tors. eta vs tors. theta energy: -180.287 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: 5 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1863.754524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.754524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.754524 (E_RNA) where: Base-Base interactions energy: -1210.411 where: short stacking energy: -548.715 Base-Backbone interact. energy: -5.794 local terms energy: -647.549780 where: bonds (distance) C4'-P energy: -138.865 bonds (distance) P-C4' energy: -134.595 flat angles C4'-P-C4' energy: -148.399 flat angles P-C4'-P energy: -94.670 tors. eta vs tors. theta energy: -131.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1670.136287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.136287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.136287 (E_RNA) where: Base-Base interactions energy: -1075.551 where: short stacking energy: -507.705 Base-Backbone interact. energy: 1.542 local terms energy: -596.127705 where: bonds (distance) C4'-P energy: -127.577 bonds (distance) P-C4' energy: -114.914 flat angles C4'-P-C4' energy: -159.002 flat angles P-C4'-P energy: -90.495 tors. eta vs tors. theta energy: -104.141 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: 8, replica: 8 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -1337.024203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.024203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.024203 (E_RNA) where: Base-Base interactions energy: -783.572 where: short stacking energy: -373.092 Base-Backbone interact. energy: -3.003 local terms energy: -550.449826 where: bonds (distance) C4'-P energy: -119.217 bonds (distance) P-C4' energy: -129.051 flat angles C4'-P-C4' energy: -144.260 flat angles P-C4'-P energy: -85.437 tors. eta vs tors. theta energy: -72.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -917.839575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.839575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.839575 (E_RNA) where: Base-Base interactions energy: -435.630 where: short stacking energy: -237.538 Base-Backbone interact. energy: -3.386 local terms energy: -478.823692 where: bonds (distance) C4'-P energy: -143.154 bonds (distance) P-C4' energy: -142.987 flat angles C4'-P-C4' energy: -118.798 flat angles P-C4'-P energy: -80.125 tors. eta vs tors. theta energy: 6.241 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: 10 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -666.462663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.462663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.462663 (E_RNA) where: Base-Base interactions energy: -259.941 where: short stacking energy: -194.552 Base-Backbone interact. energy: -1.542 local terms energy: -404.979867 where: bonds (distance) C4'-P energy: -127.266 bonds (distance) P-C4' energy: -123.469 flat angles C4'-P-C4' energy: -114.352 flat angles P-C4'-P energy: -68.683 tors. eta vs tors. theta energy: 28.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -2748.016897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.016897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.016897 (E_RNA) where: Base-Base interactions energy: -1894.087 where: short stacking energy: -826.602 Base-Backbone interact. energy: 2.135 local terms energy: -856.064586 where: bonds (distance) C4'-P energy: -164.977 bonds (distance) P-C4' energy: -154.626 flat angles C4'-P-C4' energy: -175.340 flat angles P-C4'-P energy: -124.543 tors. eta vs tors. theta energy: -236.580 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: 2 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -2714.658066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.658066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.658066 (E_RNA) where: Base-Base interactions energy: -1867.079 where: short stacking energy: -815.894 Base-Backbone interact. energy: -5.117 local terms energy: -842.462065 where: bonds (distance) C4'-P energy: -155.848 bonds (distance) P-C4' energy: -145.107 flat angles C4'-P-C4' energy: -191.228 flat angles P-C4'-P energy: -114.455 tors. eta vs tors. theta energy: -235.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -2538.265077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.265077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.265077 (E_RNA) where: Base-Base interactions energy: -1793.738 where: short stacking energy: -725.400 Base-Backbone interact. energy: -2.670 local terms energy: -741.857262 where: bonds (distance) C4'-P energy: -131.387 bonds (distance) P-C4' energy: -139.122 flat angles C4'-P-C4' energy: -157.002 flat angles P-C4'-P energy: -121.521 tors. eta vs tors. theta energy: -192.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -2380.851766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.851766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.851766 (E_RNA) where: Base-Base interactions energy: -1627.482 where: short stacking energy: -710.187 Base-Backbone interact. energy: -2.321 local terms energy: -751.049122 where: bonds (distance) C4'-P energy: -142.891 bonds (distance) P-C4' energy: -140.299 flat angles C4'-P-C4' energy: -168.488 flat angles P-C4'-P energy: -112.158 tors. eta vs tors. theta energy: -187.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -2268.270950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.270950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.270950 (E_RNA) where: Base-Base interactions energy: -1508.194 where: short stacking energy: -660.513 Base-Backbone interact. energy: -0.846 local terms energy: -759.231710 where: bonds (distance) C4'-P energy: -141.445 bonds (distance) P-C4' energy: -152.547 flat angles C4'-P-C4' energy: -171.092 flat angles P-C4'-P energy: -117.242 tors. eta vs tors. theta energy: -176.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1899.046918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.046918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.046918 (E_RNA) where: Base-Base interactions energy: -1219.979 where: short stacking energy: -564.109 Base-Backbone interact. energy: -2.582 local terms energy: -676.485426 where: bonds (distance) C4'-P energy: -139.543 bonds (distance) P-C4' energy: -160.632 flat angles C4'-P-C4' energy: -140.344 flat angles P-C4'-P energy: -108.795 tors. eta vs tors. theta energy: -127.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1689.603414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.603414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.603414 (E_RNA) where: Base-Base interactions energy: -1080.690 where: short stacking energy: -506.589 Base-Backbone interact. energy: -2.713 local terms energy: -606.200102 where: bonds (distance) C4'-P energy: -137.410 bonds (distance) P-C4' energy: -135.002 flat angles C4'-P-C4' energy: -147.239 flat angles P-C4'-P energy: -80.517 tors. eta vs tors. theta energy: -106.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -1360.279723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.279723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.279723 (E_RNA) where: Base-Base interactions energy: -793.780 where: short stacking energy: -383.074 Base-Backbone interact. energy: -0.851 local terms energy: -565.647793 where: bonds (distance) C4'-P energy: -130.162 bonds (distance) P-C4' energy: -152.023 flat angles C4'-P-C4' energy: -134.349 flat angles P-C4'-P energy: -73.130 tors. eta vs tors. theta energy: -75.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -871.897387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.897387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.897387 (E_RNA) where: Base-Base interactions energy: -429.059 where: short stacking energy: -246.173 Base-Backbone interact. energy: 5.965 local terms energy: -448.803470 where: bonds (distance) C4'-P energy: -121.665 bonds (distance) P-C4' energy: -151.633 flat angles C4'-P-C4' energy: -127.372 flat angles P-C4'-P energy: -69.628 tors. eta vs tors. theta energy: 21.495 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: 10 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -612.361751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.361751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.361751 (E_RNA) where: Base-Base interactions energy: -229.121 where: short stacking energy: -170.665 Base-Backbone interact. energy: 2.292 local terms energy: -385.533083 where: bonds (distance) C4'-P energy: -140.938 bonds (distance) P-C4' energy: -133.500 flat angles C4'-P-C4' energy: -100.050 flat angles P-C4'-P energy: -43.783 tors. eta vs tors. theta energy: 32.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -2739.551952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.551952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.551952 (E_RNA) where: Base-Base interactions energy: -1855.865 where: short stacking energy: -821.907 Base-Backbone interact. energy: -1.754 local terms energy: -881.933164 where: bonds (distance) C4'-P energy: -143.747 bonds (distance) P-C4' energy: -171.118 flat angles C4'-P-C4' energy: -198.766 flat angles P-C4'-P energy: -128.757 tors. eta vs tors. theta energy: -239.546 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: 485 Temperature: 0.950000 Total energy: -2697.729582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.729582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.729582 (E_RNA) where: Base-Base interactions energy: -1855.099 where: short stacking energy: -799.472 Base-Backbone interact. energy: -3.993 local terms energy: -838.637900 where: bonds (distance) C4'-P energy: -167.760 bonds (distance) P-C4' energy: -157.311 flat angles C4'-P-C4' energy: -178.540 flat angles P-C4'-P energy: -119.457 tors. eta vs tors. theta energy: -215.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -2475.675632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.675632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.675632 (E_RNA) where: Base-Base interactions energy: -1678.804 where: short stacking energy: -694.896 Base-Backbone interact. energy: -3.285 local terms energy: -793.586692 where: bonds (distance) C4'-P energy: -146.009 bonds (distance) P-C4' energy: -161.120 flat angles C4'-P-C4' energy: -172.117 flat angles P-C4'-P energy: -115.482 tors. eta vs tors. theta energy: -198.859 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: 4 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -2360.431190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.431190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.431190 (E_RNA) where: Base-Base interactions energy: -1624.889 where: short stacking energy: -698.844 Base-Backbone interact. energy: 12.552 local terms energy: -748.094149 where: bonds (distance) C4'-P energy: -139.120 bonds (distance) P-C4' energy: -143.288 flat angles C4'-P-C4' energy: -161.664 flat angles P-C4'-P energy: -109.787 tors. eta vs tors. theta energy: -194.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -2202.077885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.077885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.077885 (E_RNA) where: Base-Base interactions energy: -1473.829 where: short stacking energy: -647.823 Base-Backbone interact. energy: -3.767 local terms energy: -724.481972 where: bonds (distance) C4'-P energy: -157.063 bonds (distance) P-C4' energy: -135.372 flat angles C4'-P-C4' energy: -161.704 flat angles P-C4'-P energy: -96.639 tors. eta vs tors. theta energy: -173.704 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: 5 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -1938.044273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.044273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.044273 (E_RNA) where: Base-Base interactions energy: -1269.510 where: short stacking energy: -600.718 Base-Backbone interact. energy: -0.956 local terms energy: -667.578103 where: bonds (distance) C4'-P energy: -145.404 bonds (distance) P-C4' energy: -119.199 flat angles C4'-P-C4' energy: -145.992 flat angles P-C4'-P energy: -103.009 tors. eta vs tors. theta energy: -153.974 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: 7 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -1650.151970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.151970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.151970 (E_RNA) where: Base-Base interactions energy: -1059.215 where: short stacking energy: -482.170 Base-Backbone interact. energy: 1.245 local terms energy: -592.181178 where: bonds (distance) C4'-P energy: -119.446 bonds (distance) P-C4' energy: -129.242 flat angles C4'-P-C4' energy: -132.981 flat angles P-C4'-P energy: -103.918 tors. eta vs tors. theta energy: -106.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -1328.653349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.653349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.653349 (E_RNA) where: Base-Base interactions energy: -754.938 where: short stacking energy: -388.685 Base-Backbone interact. energy: -0.310 local terms energy: -573.405643 where: bonds (distance) C4'-P energy: -132.798 bonds (distance) P-C4' energy: -149.659 flat angles C4'-P-C4' energy: -132.616 flat angles P-C4'-P energy: -91.253 tors. eta vs tors. theta energy: -67.079 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: 9, replica: 6 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -872.075630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.075630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.075630 (E_RNA) where: Base-Base interactions energy: -450.419 where: short stacking energy: -275.888 Base-Backbone interact. energy: 5.809 local terms energy: -427.465818 where: bonds (distance) C4'-P energy: -121.227 bonds (distance) P-C4' energy: -136.405 flat angles C4'-P-C4' energy: -117.638 flat angles P-C4'-P energy: -64.265 tors. eta vs tors. theta energy: 12.070 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: 10, replica: 10 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -607.274309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.274309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.274309 (E_RNA) where: Base-Base interactions energy: -224.569 where: short stacking energy: -202.082 Base-Backbone interact. energy: 1.135 local terms energy: -383.840310 where: bonds (distance) C4'-P energy: -118.665 bonds (distance) P-C4' energy: -127.197 flat angles C4'-P-C4' energy: -105.479 flat angles P-C4'-P energy: -56.763 tors. eta vs tors. theta energy: 24.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -2732.124719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.124719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.124719 (E_RNA) where: Base-Base interactions energy: -1911.223 where: short stacking energy: -807.069 Base-Backbone interact. energy: -2.322 local terms energy: -818.579525 where: bonds (distance) C4'-P energy: -129.201 bonds (distance) P-C4' energy: -164.445 flat angles C4'-P-C4' energy: -183.621 flat angles P-C4'-P energy: -123.035 tors. eta vs tors. theta energy: -218.277 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: 2 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -2724.092266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.092266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.092266 (E_RNA) where: Base-Base interactions energy: -1888.481 where: short stacking energy: -801.940 Base-Backbone interact. energy: -2.723 local terms energy: -832.888467 where: bonds (distance) C4'-P energy: -152.591 bonds (distance) P-C4' energy: -161.991 flat angles C4'-P-C4' energy: -181.108 flat angles P-C4'-P energy: -120.658 tors. eta vs tors. theta energy: -216.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -2506.761657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.761657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.761657 (E_RNA) where: Base-Base interactions energy: -1698.424 where: short stacking energy: -750.982 Base-Backbone interact. energy: -1.505 local terms energy: -806.832835 where: bonds (distance) C4'-P energy: -145.332 bonds (distance) P-C4' energy: -172.757 flat angles C4'-P-C4' energy: -186.166 flat angles P-C4'-P energy: -104.186 tors. eta vs tors. theta energy: -198.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -2358.751392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.751392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.751392 (E_RNA) where: Base-Base interactions energy: -1612.404 where: short stacking energy: -674.097 Base-Backbone interact. energy: -4.826 local terms energy: -741.520828 where: bonds (distance) C4'-P energy: -132.174 bonds (distance) P-C4' energy: -164.152 flat angles C4'-P-C4' energy: -169.717 flat angles P-C4'-P energy: -103.520 tors. eta vs tors. theta energy: -171.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -2212.420691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.420691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.420691 (E_RNA) where: Base-Base interactions energy: -1508.750 where: short stacking energy: -654.486 Base-Backbone interact. energy: 2.316 local terms energy: -705.986473 where: bonds (distance) C4'-P energy: -146.405 bonds (distance) P-C4' energy: -147.711 flat angles C4'-P-C4' energy: -153.362 flat angles P-C4'-P energy: -86.507 tors. eta vs tors. theta energy: -172.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -1897.818386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.818386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.818386 (E_RNA) where: Base-Base interactions energy: -1268.803 where: short stacking energy: -540.147 Base-Backbone interact. energy: 0.260 local terms energy: -629.274833 where: bonds (distance) C4'-P energy: -139.836 bonds (distance) P-C4' energy: -136.355 flat angles C4'-P-C4' energy: -145.423 flat angles P-C4'-P energy: -93.091 tors. eta vs tors. theta energy: -114.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -1603.215027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.215027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.215027 (E_RNA) where: Base-Base interactions energy: -996.386 where: short stacking energy: -475.140 Base-Backbone interact. energy: 4.557 local terms energy: -611.386012 where: bonds (distance) C4'-P energy: -147.546 bonds (distance) P-C4' energy: -131.948 flat angles C4'-P-C4' energy: -142.009 flat angles P-C4'-P energy: -93.452 tors. eta vs tors. theta energy: -96.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -1300.282562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.282562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.282562 (E_RNA) where: Base-Base interactions energy: -754.152 where: short stacking energy: -382.571 Base-Backbone interact. energy: 3.653 local terms energy: -549.783101 where: bonds (distance) C4'-P energy: -119.058 bonds (distance) P-C4' energy: -156.117 flat angles C4'-P-C4' energy: -138.338 flat angles P-C4'-P energy: -80.769 tors. eta vs tors. theta energy: -55.501 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: 6 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -823.755348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.755348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.755348 (E_RNA) where: Base-Base interactions energy: -381.210 where: short stacking energy: -236.803 Base-Backbone interact. energy: 0.235 local terms energy: -442.781296 where: bonds (distance) C4'-P energy: -139.170 bonds (distance) P-C4' energy: -130.904 flat angles C4'-P-C4' energy: -114.606 flat angles P-C4'-P energy: -61.461 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: 10, replica: 10 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -628.697091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.697091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.697091 (E_RNA) where: Base-Base interactions energy: -244.705 where: short stacking energy: -194.839 Base-Backbone interact. energy: 2.176 local terms energy: -386.168555 where: bonds (distance) C4'-P energy: -122.053 bonds (distance) P-C4' energy: -129.539 flat angles C4'-P-C4' energy: -98.589 flat angles P-C4'-P energy: -70.049 tors. eta vs tors. theta energy: 34.062 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: 1 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -2731.722009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.722009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.722009 (E_RNA) where: Base-Base interactions energy: -1864.330 where: short stacking energy: -797.688 Base-Backbone interact. energy: -4.469 local terms energy: -862.922610 where: bonds (distance) C4'-P energy: -160.798 bonds (distance) P-C4' energy: -161.165 flat angles C4'-P-C4' energy: -183.753 flat angles P-C4'-P energy: -143.619 tors. eta vs tors. theta energy: -213.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -2662.079336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.079336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.079336 (E_RNA) where: Base-Base interactions energy: -1814.247 where: short stacking energy: -767.644 Base-Backbone interact. energy: -1.468 local terms energy: -846.364818 where: bonds (distance) C4'-P energy: -150.908 bonds (distance) P-C4' energy: -161.635 flat angles C4'-P-C4' energy: -187.816 flat angles P-C4'-P energy: -130.010 tors. eta vs tors. theta energy: -215.995 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: 3 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -2568.800322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.800322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.800322 (E_RNA) where: Base-Base interactions energy: -1771.976 where: short stacking energy: -748.978 Base-Backbone interact. energy: -3.217 local terms energy: -793.607510 where: bonds (distance) C4'-P energy: -153.641 bonds (distance) P-C4' energy: -153.013 flat angles C4'-P-C4' energy: -162.271 flat angles P-C4'-P energy: -111.718 tors. eta vs tors. theta energy: -212.965 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: 4, replica: 9 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -2276.548185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.548185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.548185 (E_RNA) where: Base-Base interactions energy: -1561.023 where: short stacking energy: -655.535 Base-Backbone interact. energy: -1.262 local terms energy: -714.263343 where: bonds (distance) C4'-P energy: -134.299 bonds (distance) P-C4' energy: -141.514 flat angles C4'-P-C4' energy: -152.826 flat angles P-C4'-P energy: -103.094 tors. eta vs tors. theta energy: -182.531 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: 487 Temperature: 1.100000 Total energy: -2236.803557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.803557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.803557 (E_RNA) where: Base-Base interactions energy: -1532.912 where: short stacking energy: -614.788 Base-Backbone interact. energy: -2.316 local terms energy: -701.575579 where: bonds (distance) C4'-P energy: -127.717 bonds (distance) P-C4' energy: -146.176 flat angles C4'-P-C4' energy: -162.462 flat angles P-C4'-P energy: -105.700 tors. eta vs tors. theta energy: -159.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -1889.718305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.718305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.718305 (E_RNA) where: Base-Base interactions energy: -1229.794 where: short stacking energy: -560.154 Base-Backbone interact. energy: 1.021 local terms energy: -660.945335 where: bonds (distance) C4'-P energy: -131.153 bonds (distance) P-C4' energy: -139.434 flat angles C4'-P-C4' energy: -151.558 flat angles P-C4'-P energy: -108.006 tors. eta vs tors. theta energy: -130.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -1612.988326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.988326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.988326 (E_RNA) where: Base-Base interactions energy: -975.409 where: short stacking energy: -467.309 Base-Backbone interact. energy: -1.240 local terms energy: -636.339762 where: bonds (distance) C4'-P energy: -153.120 bonds (distance) P-C4' energy: -130.217 flat angles C4'-P-C4' energy: -155.950 flat angles P-C4'-P energy: -91.384 tors. eta vs tors. theta energy: -105.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -1268.514741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.514741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.514741 (E_RNA) where: Base-Base interactions energy: -732.775 where: short stacking energy: -396.787 Base-Backbone interact. energy: 4.462 local terms energy: -540.202611 where: bonds (distance) C4'-P energy: -114.561 bonds (distance) P-C4' energy: -138.367 flat angles C4'-P-C4' energy: -140.223 flat angles P-C4'-P energy: -84.947 tors. eta vs tors. theta energy: -62.105 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: 6 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -895.128214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.128214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.128214 (E_RNA) where: Base-Base interactions energy: -427.710 where: short stacking energy: -256.193 Base-Backbone interact. energy: -0.054 local terms energy: -467.364018 where: bonds (distance) C4'-P energy: -139.590 bonds (distance) P-C4' energy: -124.585 flat angles C4'-P-C4' energy: -127.767 flat angles P-C4'-P energy: -73.457 tors. eta vs tors. theta energy: -1.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -686.974864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.974864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.974864 (E_RNA) where: Base-Base interactions energy: -309.632 where: short stacking energy: -193.440 Base-Backbone interact. energy: 5.822 local terms energy: -383.165339 where: bonds (distance) C4'-P energy: -130.172 bonds (distance) P-C4' energy: -113.721 flat angles C4'-P-C4' energy: -99.161 flat angles P-C4'-P energy: -71.359 tors. eta vs tors. theta energy: 31.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -2720.039587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.039587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.039587 (E_RNA) where: Base-Base interactions energy: -1885.826 where: short stacking energy: -813.933 Base-Backbone interact. energy: -4.577 local terms energy: -829.636666 where: bonds (distance) C4'-P energy: -157.105 bonds (distance) P-C4' energy: -155.967 flat angles C4'-P-C4' energy: -185.698 flat angles P-C4'-P energy: -120.345 tors. eta vs tors. theta energy: -210.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -2687.835549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.835549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.835549 (E_RNA) where: Base-Base interactions energy: -1865.790 where: short stacking energy: -799.172 Base-Backbone interact. energy: 7.287 local terms energy: -829.333319 where: bonds (distance) C4'-P energy: -151.305 bonds (distance) P-C4' energy: -159.464 flat angles C4'-P-C4' energy: -185.065 flat angles P-C4'-P energy: -121.784 tors. eta vs tors. theta energy: -211.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -2523.194563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.194563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.194563 (E_RNA) where: Base-Base interactions energy: -1698.262 where: short stacking energy: -768.495 Base-Backbone interact. energy: -2.141 local terms energy: -822.791373 where: bonds (distance) C4'-P energy: -162.604 bonds (distance) P-C4' energy: -153.310 flat angles C4'-P-C4' energy: -181.991 flat angles P-C4'-P energy: -114.892 tors. eta vs tors. theta energy: -209.995 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: 9 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -2348.102872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.102872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.102872 (E_RNA) where: Base-Base interactions energy: -1637.123 where: short stacking energy: -680.210 Base-Backbone interact. energy: -1.210 local terms energy: -709.770205 where: bonds (distance) C4'-P energy: -152.081 bonds (distance) P-C4' energy: -119.563 flat angles C4'-P-C4' energy: -166.885 flat angles P-C4'-P energy: -103.459 tors. eta vs tors. theta energy: -167.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -2278.874018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.874018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.874018 (E_RNA) where: Base-Base interactions energy: -1538.350 where: short stacking energy: -685.573 Base-Backbone interact. energy: 0.155 local terms energy: -740.678555 where: bonds (distance) C4'-P energy: -145.801 bonds (distance) P-C4' energy: -148.219 flat angles C4'-P-C4' energy: -151.150 flat angles P-C4'-P energy: -107.689 tors. eta vs tors. theta energy: -187.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -1909.750740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.750740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.750740 (E_RNA) where: Base-Base interactions energy: -1228.643 where: short stacking energy: -545.400 Base-Backbone interact. energy: 2.272 local terms energy: -683.380260 where: bonds (distance) C4'-P energy: -148.208 bonds (distance) P-C4' energy: -146.142 flat angles C4'-P-C4' energy: -160.702 flat angles P-C4'-P energy: -103.190 tors. eta vs tors. theta energy: -125.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1568.695651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.695651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.695651 (E_RNA) where: Base-Base interactions energy: -965.123 where: short stacking energy: -463.854 Base-Backbone interact. energy: -2.618 local terms energy: -600.954984 where: bonds (distance) C4'-P energy: -123.248 bonds (distance) P-C4' energy: -140.472 flat angles C4'-P-C4' energy: -146.302 flat angles P-C4'-P energy: -94.756 tors. eta vs tors. theta energy: -96.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -1286.170347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.170347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.170347 (E_RNA) where: Base-Base interactions energy: -769.160 where: short stacking energy: -395.230 Base-Backbone interact. energy: 4.896 local terms energy: -521.906502 where: bonds (distance) C4'-P energy: -116.865 bonds (distance) P-C4' energy: -153.992 flat angles C4'-P-C4' energy: -126.534 flat angles P-C4'-P energy: -66.159 tors. eta vs tors. theta energy: -58.356 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: 9, replica: 6 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -839.430183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.430183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.430183 (E_RNA) where: Base-Base interactions energy: -413.280 where: short stacking energy: -250.470 Base-Backbone interact. energy: 4.455 local terms energy: -430.604415 where: bonds (distance) C4'-P energy: -132.178 bonds (distance) P-C4' energy: -147.989 flat angles C4'-P-C4' energy: -83.808 flat angles P-C4'-P energy: -70.402 tors. eta vs tors. theta energy: 3.772 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: 10 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -659.031955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.031955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.031955 (E_RNA) where: Base-Base interactions energy: -242.723 where: short stacking energy: -163.618 Base-Backbone interact. energy: -0.835 local terms energy: -415.474371 where: bonds (distance) C4'-P energy: -118.426 bonds (distance) P-C4' energy: -152.850 flat angles C4'-P-C4' energy: -109.500 flat angles P-C4'-P energy: -66.295 tors. eta vs tors. theta energy: 31.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -2708.356897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.356897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.356897 (E_RNA) where: Base-Base interactions energy: -1841.529 where: short stacking energy: -798.759 Base-Backbone interact. energy: -3.331 local terms energy: -863.497071 where: bonds (distance) C4'-P energy: -158.956 bonds (distance) P-C4' energy: -163.871 flat angles C4'-P-C4' energy: -182.265 flat angles P-C4'-P energy: -135.418 tors. eta vs tors. theta energy: -222.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -2699.388763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.388763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.388763 (E_RNA) where: Base-Base interactions energy: -1864.796 where: short stacking energy: -786.051 Base-Backbone interact. energy: -3.468 local terms energy: -831.124702 where: bonds (distance) C4'-P energy: -153.493 bonds (distance) P-C4' energy: -168.339 flat angles C4'-P-C4' energy: -174.968 flat angles P-C4'-P energy: -118.618 tors. eta vs tors. theta energy: -215.706 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: 489 Temperature: 1.000000 Total energy: -2550.985991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.985991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.985991 (E_RNA) where: Base-Base interactions energy: -1722.134 where: short stacking energy: -784.172 Base-Backbone interact. energy: -0.186 local terms energy: -828.666626 where: bonds (distance) C4'-P energy: -163.565 bonds (distance) P-C4' energy: -153.786 flat angles C4'-P-C4' energy: -171.136 flat angles P-C4'-P energy: -116.600 tors. eta vs tors. theta energy: -223.579 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: 4, replica: 4 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -2350.400674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.400674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.400674 (E_RNA) where: Base-Base interactions energy: -1575.477 where: short stacking energy: -673.716 Base-Backbone interact. energy: -4.273 local terms energy: -770.650633 where: bonds (distance) C4'-P energy: -163.559 bonds (distance) P-C4' energy: -149.597 flat angles C4'-P-C4' energy: -161.623 flat angles P-C4'-P energy: -101.597 tors. eta vs tors. theta energy: -194.275 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: 5, replica: 9 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -2271.024844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.024844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.024844 (E_RNA) where: Base-Base interactions energy: -1596.940 where: short stacking energy: -668.294 Base-Backbone interact. energy: 0.163 local terms energy: -674.248162 where: bonds (distance) C4'-P energy: -137.727 bonds (distance) P-C4' energy: -123.372 flat angles C4'-P-C4' energy: -147.378 flat angles P-C4'-P energy: -93.591 tors. eta vs tors. theta energy: -172.179 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: 5 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -1857.041732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.041732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.041732 (E_RNA) where: Base-Base interactions energy: -1143.962 where: short stacking energy: -509.837 Base-Backbone interact. energy: -0.535 local terms energy: -712.544485 where: bonds (distance) C4'-P energy: -156.010 bonds (distance) P-C4' energy: -170.601 flat angles C4'-P-C4' energy: -152.729 flat angles P-C4'-P energy: -104.226 tors. eta vs tors. theta energy: -128.978 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: 7 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1571.776835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.776835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.776835 (E_RNA) where: Base-Base interactions energy: -949.967 where: short stacking energy: -456.804 Base-Backbone interact. energy: 0.926 local terms energy: -622.736400 where: bonds (distance) C4'-P energy: -150.833 bonds (distance) P-C4' energy: -138.466 flat angles C4'-P-C4' energy: -140.189 flat angles P-C4'-P energy: -100.311 tors. eta vs tors. theta energy: -92.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -1228.055779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.055779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.055779 (E_RNA) where: Base-Base interactions energy: -710.631 where: short stacking energy: -341.339 Base-Backbone interact. energy: -3.470 local terms energy: -513.954770 where: bonds (distance) C4'-P energy: -141.429 bonds (distance) P-C4' energy: -117.992 flat angles C4'-P-C4' energy: -128.098 flat angles P-C4'-P energy: -97.411 tors. eta vs tors. theta energy: -29.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -823.847973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.847973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.847973 (E_RNA) where: Base-Base interactions energy: -386.353 where: short stacking energy: -247.197 Base-Backbone interact. energy: -1.112 local terms energy: -436.383503 where: bonds (distance) C4'-P energy: -116.756 bonds (distance) P-C4' energy: -143.824 flat angles C4'-P-C4' energy: -107.708 flat angles P-C4'-P energy: -74.865 tors. eta vs tors. theta energy: 6.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -682.859125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.859125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.859125 (E_RNA) where: Base-Base interactions energy: -256.652 where: short stacking energy: -198.864 Base-Backbone interact. energy: 0.027 local terms energy: -426.233483 where: bonds (distance) C4'-P energy: -150.221 bonds (distance) P-C4' energy: -125.120 flat angles C4'-P-C4' energy: -102.240 flat angles P-C4'-P energy: -57.425 tors. eta vs tors. theta energy: 8.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -2731.367111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.367111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.367111 (E_RNA) where: Base-Base interactions energy: -1861.063 where: short stacking energy: -818.245 Base-Backbone interact. energy: -2.922 local terms energy: -867.382110 where: bonds (distance) C4'-P energy: -169.930 bonds (distance) P-C4' energy: -167.590 flat angles C4'-P-C4' energy: -178.244 flat angles P-C4'-P energy: -125.831 tors. eta vs tors. theta energy: -225.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -2652.802515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.802515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.802515 (E_RNA) where: Base-Base interactions energy: -1811.305 where: short stacking energy: -795.303 Base-Backbone interact. energy: -4.261 local terms energy: -837.236502 where: bonds (distance) C4'-P energy: -148.091 bonds (distance) P-C4' energy: -154.089 flat angles C4'-P-C4' energy: -177.538 flat angles P-C4'-P energy: -137.253 tors. eta vs tors. theta energy: -220.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -2553.465928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.465928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.465928 (E_RNA) where: Base-Base interactions energy: -1708.525 where: short stacking energy: -741.001 Base-Backbone interact. energy: -2.671 local terms energy: -842.269496 where: bonds (distance) C4'-P energy: -157.678 bonds (distance) P-C4' energy: -160.247 flat angles C4'-P-C4' energy: -180.208 flat angles P-C4'-P energy: -126.991 tors. eta vs tors. theta energy: -217.146 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: 4, replica: 4 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -2359.718059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.718059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.718059 (E_RNA) where: Base-Base interactions energy: -1591.911 where: short stacking energy: -710.435 Base-Backbone interact. energy: -4.693 local terms energy: -763.113927 where: bonds (distance) C4'-P energy: -151.192 bonds (distance) P-C4' energy: -145.727 flat angles C4'-P-C4' energy: -172.432 flat angles P-C4'-P energy: -92.078 tors. eta vs tors. theta energy: -201.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -2238.285201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.285201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.285201 (E_RNA) where: Base-Base interactions energy: -1505.637 where: short stacking energy: -654.183 Base-Backbone interact. energy: 1.494 local terms energy: -734.142366 where: bonds (distance) C4'-P energy: -149.037 bonds (distance) P-C4' energy: -155.479 flat angles C4'-P-C4' energy: -155.118 flat angles P-C4'-P energy: -110.109 tors. eta vs tors. theta energy: -164.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -1923.141308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.141308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.141308 (E_RNA) where: Base-Base interactions energy: -1257.751 where: short stacking energy: -546.392 Base-Backbone interact. energy: 4.465 local terms energy: -669.855589 where: bonds (distance) C4'-P energy: -140.554 bonds (distance) P-C4' energy: -152.520 flat angles C4'-P-C4' energy: -169.410 flat angles P-C4'-P energy: -96.371 tors. eta vs tors. theta energy: -111.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -1549.344230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.344230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.344230 (E_RNA) where: Base-Base interactions energy: -956.285 where: short stacking energy: -452.306 Base-Backbone interact. energy: 0.769 local terms energy: -593.828225 where: bonds (distance) C4'-P energy: -135.455 bonds (distance) P-C4' energy: -146.124 flat angles C4'-P-C4' energy: -130.605 flat angles P-C4'-P energy: -91.321 tors. eta vs tors. theta energy: -90.324 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: 8 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -1275.170230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.170230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.170230 (E_RNA) where: Base-Base interactions energy: -765.002 where: short stacking energy: -386.769 Base-Backbone interact. energy: 3.359 local terms energy: -513.527514 where: bonds (distance) C4'-P energy: -128.927 bonds (distance) P-C4' energy: -132.058 flat angles C4'-P-C4' energy: -129.518 flat angles P-C4'-P energy: -70.364 tors. eta vs tors. theta energy: -52.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -819.428045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.428045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.428045 (E_RNA) where: Base-Base interactions energy: -392.757 where: short stacking energy: -217.361 Base-Backbone interact. energy: 3.002 local terms energy: -429.673202 where: bonds (distance) C4'-P energy: -122.176 bonds (distance) P-C4' energy: -135.364 flat angles C4'-P-C4' energy: -121.264 flat angles P-C4'-P energy: -65.042 tors. eta vs tors. theta energy: 14.173 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: 10 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -701.108153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.108153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.108153 (E_RNA) where: Base-Base interactions energy: -272.361 where: short stacking energy: -213.845 Base-Backbone interact. energy: -2.855 local terms energy: -425.891744 where: bonds (distance) C4'-P energy: -127.275 bonds (distance) P-C4' energy: -141.686 flat angles C4'-P-C4' energy: -105.086 flat angles P-C4'-P energy: -53.376 tors. eta vs tors. theta energy: 1.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -2740.696581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.696581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.696581 (E_RNA) where: Base-Base interactions energy: -1875.273 where: short stacking energy: -811.378 Base-Backbone interact. energy: -1.938 local terms energy: -863.486185 where: bonds (distance) C4'-P energy: -170.357 bonds (distance) P-C4' energy: -172.001 flat angles C4'-P-C4' energy: -176.908 flat angles P-C4'-P energy: -115.577 tors. eta vs tors. theta energy: -228.644 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: 3 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -2624.151794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.151794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.151794 (E_RNA) where: Base-Base interactions energy: -1819.149 where: short stacking energy: -765.304 Base-Backbone interact. energy: -1.695 local terms energy: -803.307938 where: bonds (distance) C4'-P energy: -160.570 bonds (distance) P-C4' energy: -150.608 flat angles C4'-P-C4' energy: -170.967 flat angles P-C4'-P energy: -110.908 tors. eta vs tors. theta energy: -210.254 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: 1 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -2603.331670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.331670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.331670 (E_RNA) where: Base-Base interactions energy: -1785.878 where: short stacking energy: -778.870 Base-Backbone interact. energy: -1.987 local terms energy: -815.467017 where: bonds (distance) C4'-P energy: -135.082 bonds (distance) P-C4' energy: -157.059 flat angles C4'-P-C4' energy: -183.242 flat angles P-C4'-P energy: -125.564 tors. eta vs tors. theta energy: -214.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -2392.453760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.453760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.453760 (E_RNA) where: Base-Base interactions energy: -1619.983 where: short stacking energy: -725.627 Base-Backbone interact. energy: -3.018 local terms energy: -769.452854 where: bonds (distance) C4'-P energy: -147.681 bonds (distance) P-C4' energy: -140.421 flat angles C4'-P-C4' energy: -170.172 flat angles P-C4'-P energy: -97.683 tors. eta vs tors. theta energy: -213.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -2246.799519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.799519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.799519 (E_RNA) where: Base-Base interactions energy: -1543.232 where: short stacking energy: -682.945 Base-Backbone interact. energy: -1.495 local terms energy: -702.072491 where: bonds (distance) C4'-P energy: -139.824 bonds (distance) P-C4' energy: -135.358 flat angles C4'-P-C4' energy: -155.679 flat angles P-C4'-P energy: -99.999 tors. eta vs tors. theta energy: -171.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -1915.239690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.239690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.239690 (E_RNA) where: Base-Base interactions energy: -1250.115 where: short stacking energy: -565.263 Base-Backbone interact. energy: -1.869 local terms energy: -663.254893 where: bonds (distance) C4'-P energy: -139.697 bonds (distance) P-C4' energy: -136.719 flat angles C4'-P-C4' energy: -156.952 flat angles P-C4'-P energy: -95.244 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: 7, replica: 7 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -1568.313793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.313793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.313793 (E_RNA) where: Base-Base interactions energy: -986.830 where: short stacking energy: -427.796 Base-Backbone interact. energy: 1.515 local terms energy: -582.998494 where: bonds (distance) C4'-P energy: -152.116 bonds (distance) P-C4' energy: -121.426 flat angles C4'-P-C4' energy: -152.327 flat angles P-C4'-P energy: -82.072 tors. eta vs tors. theta energy: -75.057 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: 8 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -1299.394345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.394345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.394345 (E_RNA) where: Base-Base interactions energy: -745.834 where: short stacking energy: -366.246 Base-Backbone interact. energy: 3.212 local terms energy: -556.772191 where: bonds (distance) C4'-P energy: -150.316 bonds (distance) P-C4' energy: -142.963 flat angles C4'-P-C4' energy: -132.837 flat angles P-C4'-P energy: -76.323 tors. eta vs tors. theta energy: -54.333 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: 6 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -880.345632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.345632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.345632 (E_RNA) where: Base-Base interactions energy: -421.406 where: short stacking energy: -213.881 Base-Backbone interact. energy: 5.115 local terms energy: -464.054365 where: bonds (distance) C4'-P energy: -149.104 bonds (distance) P-C4' energy: -157.544 flat angles C4'-P-C4' energy: -113.183 flat angles P-C4'-P energy: -51.143 tors. eta vs tors. theta energy: 6.919 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: 10 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -647.273885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.273885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.273885 (E_RNA) where: Base-Base interactions energy: -276.715 where: short stacking energy: -201.014 Base-Backbone interact. energy: 0.393 local terms energy: -370.952140 where: bonds (distance) C4'-P energy: -115.510 bonds (distance) P-C4' energy: -130.477 flat angles C4'-P-C4' energy: -95.431 flat angles P-C4'-P energy: -49.580 tors. eta vs tors. theta energy: 20.046 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: 2 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -2744.171207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.171207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.171207 (E_RNA) where: Base-Base interactions energy: -1888.357 where: short stacking energy: -816.098 Base-Backbone interact. energy: -5.286 local terms energy: -850.529103 where: bonds (distance) C4'-P energy: -143.894 bonds (distance) P-C4' energy: -178.389 flat angles C4'-P-C4' energy: -185.250 flat angles P-C4'-P energy: -117.301 tors. eta vs tors. theta energy: -225.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -2607.361377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.361377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.361377 (E_RNA) where: Base-Base interactions energy: -1781.891 where: short stacking energy: -782.909 Base-Backbone interact. energy: 0.551 local terms energy: -826.021860 where: bonds (distance) C4'-P energy: -151.205 bonds (distance) P-C4' energy: -161.854 flat angles C4'-P-C4' energy: -172.783 flat angles P-C4'-P energy: -116.855 tors. eta vs tors. theta energy: -223.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -2537.099458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.099458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.099458 (E_RNA) where: Base-Base interactions energy: -1732.878 where: short stacking energy: -719.821 Base-Backbone interact. energy: -3.088 local terms energy: -801.133542 where: bonds (distance) C4'-P energy: -157.449 bonds (distance) P-C4' energy: -162.692 flat angles C4'-P-C4' energy: -170.247 flat angles P-C4'-P energy: -103.594 tors. eta vs tors. theta energy: -207.152 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: 4 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -2381.487453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.487453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.487453 (E_RNA) where: Base-Base interactions energy: -1598.000 where: short stacking energy: -704.242 Base-Backbone interact. energy: -1.882 local terms energy: -781.605899 where: bonds (distance) C4'-P energy: -146.601 bonds (distance) P-C4' energy: -146.524 flat angles C4'-P-C4' energy: -166.744 flat angles P-C4'-P energy: -119.775 tors. eta vs tors. theta energy: -201.961 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: 9 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -2266.128829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.128829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.128829 (E_RNA) where: Base-Base interactions energy: -1549.623 where: short stacking energy: -650.793 Base-Backbone interact. energy: -9.018 local terms energy: -707.487336 where: bonds (distance) C4'-P energy: -112.041 bonds (distance) P-C4' energy: -147.243 flat angles C4'-P-C4' energy: -153.087 flat angles P-C4'-P energy: -119.219 tors. eta vs tors. theta energy: -175.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -1923.659917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.659917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.659917 (E_RNA) where: Base-Base interactions energy: -1285.004 where: short stacking energy: -581.097 Base-Backbone interact. energy: 1.203 local terms energy: -639.858819 where: bonds (distance) C4'-P energy: -141.322 bonds (distance) P-C4' energy: -125.649 flat angles C4'-P-C4' energy: -141.837 flat angles P-C4'-P energy: -103.618 tors. eta vs tors. theta energy: -127.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -1602.099035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.099035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.099035 (E_RNA) where: Base-Base interactions energy: -1012.296 where: short stacking energy: -496.513 Base-Backbone interact. energy: 6.482 local terms energy: -596.285574 where: bonds (distance) C4'-P energy: -136.563 bonds (distance) P-C4' energy: -121.453 flat angles C4'-P-C4' energy: -145.423 flat angles P-C4'-P energy: -97.079 tors. eta vs tors. theta energy: -95.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -1292.535973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.535973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.535973 (E_RNA) where: Base-Base interactions energy: -758.334 where: short stacking energy: -372.509 Base-Backbone interact. energy: -4.657 local terms energy: -529.545531 where: bonds (distance) C4'-P energy: -114.538 bonds (distance) P-C4' energy: -152.800 flat angles C4'-P-C4' energy: -122.237 flat angles P-C4'-P energy: -73.227 tors. eta vs tors. theta energy: -66.743 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: 6 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -862.468902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.468902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.468902 (E_RNA) where: Base-Base interactions energy: -410.922 where: short stacking energy: -262.499 Base-Backbone interact. energy: 5.144 local terms energy: -456.690055 where: bonds (distance) C4'-P energy: -138.966 bonds (distance) P-C4' energy: -147.514 flat angles C4'-P-C4' energy: -114.934 flat angles P-C4'-P energy: -63.113 tors. eta vs tors. theta energy: 7.837 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: 10 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -714.080011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.080011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.080011 (E_RNA) where: Base-Base interactions energy: -298.760 where: short stacking energy: -218.433 Base-Backbone interact. energy: 0.459 local terms energy: -415.778665 where: bonds (distance) C4'-P energy: -115.440 bonds (distance) P-C4' energy: -136.672 flat angles C4'-P-C4' energy: -119.847 flat angles P-C4'-P energy: -62.070 tors. eta vs tors. theta energy: 18.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -2740.846609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.846609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.846609 (E_RNA) where: Base-Base interactions energy: -1871.428 where: short stacking energy: -775.199 Base-Backbone interact. energy: -1.244 local terms energy: -868.174656 where: bonds (distance) C4'-P energy: -154.754 bonds (distance) P-C4' energy: -162.852 flat angles C4'-P-C4' energy: -191.141 flat angles P-C4'-P energy: -141.008 tors. eta vs tors. theta energy: -218.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -2615.148909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.148909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.148909 (E_RNA) where: Base-Base interactions energy: -1774.120 where: short stacking energy: -806.615 Base-Backbone interact. energy: -5.756 local terms energy: -835.272392 where: bonds (distance) C4'-P energy: -145.360 bonds (distance) P-C4' energy: -162.180 flat angles C4'-P-C4' energy: -171.435 flat angles P-C4'-P energy: -128.342 tors. eta vs tors. theta energy: -227.955 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: 3, replica: 1 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -2553.843224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.843224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.843224 (E_RNA) where: Base-Base interactions energy: -1728.922 where: short stacking energy: -756.489 Base-Backbone interact. energy: -0.397 local terms energy: -824.524312 where: bonds (distance) C4'-P energy: -155.712 bonds (distance) P-C4' energy: -152.502 flat angles C4'-P-C4' energy: -175.191 flat angles P-C4'-P energy: -119.214 tors. eta vs tors. theta energy: -221.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -2392.804813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.804813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.804813 (E_RNA) where: Base-Base interactions energy: -1617.185 where: short stacking energy: -724.929 Base-Backbone interact. energy: -4.005 local terms energy: -771.614948 where: bonds (distance) C4'-P energy: -143.216 bonds (distance) P-C4' energy: -161.167 flat angles C4'-P-C4' energy: -165.976 flat angles P-C4'-P energy: -97.280 tors. eta vs tors. theta energy: -203.975 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: 5, replica: 9 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -2287.333127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.333127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.333127 (E_RNA) where: Base-Base interactions energy: -1546.801 where: short stacking energy: -674.827 Base-Backbone interact. energy: -1.091 local terms energy: -739.441384 where: bonds (distance) C4'-P energy: -135.348 bonds (distance) P-C4' energy: -167.098 flat angles C4'-P-C4' energy: -170.034 flat angles P-C4'-P energy: -102.756 tors. eta vs tors. theta energy: -164.205 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: 5 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -1941.449625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.449625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.449625 (E_RNA) where: Base-Base interactions energy: -1271.111 where: short stacking energy: -595.717 Base-Backbone interact. energy: 2.054 local terms energy: -672.392373 where: bonds (distance) C4'-P energy: -123.367 bonds (distance) P-C4' energy: -145.900 flat angles C4'-P-C4' energy: -148.727 flat angles P-C4'-P energy: -109.999 tors. eta vs tors. theta energy: -144.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -1645.923183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.923183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.923183 (E_RNA) where: Base-Base interactions energy: -1033.379 where: short stacking energy: -470.527 Base-Backbone interact. energy: 1.555 local terms energy: -614.099046 where: bonds (distance) C4'-P energy: -134.691 bonds (distance) P-C4' energy: -145.777 flat angles C4'-P-C4' energy: -145.058 flat angles P-C4'-P energy: -97.680 tors. eta vs tors. theta energy: -90.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -1274.457383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.457383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.457383 (E_RNA) where: Base-Base interactions energy: -727.391 where: short stacking energy: -383.023 Base-Backbone interact. energy: -3.103 local terms energy: -543.963743 where: bonds (distance) C4'-P energy: -121.082 bonds (distance) P-C4' energy: -149.812 flat angles C4'-P-C4' energy: -128.209 flat angles P-C4'-P energy: -88.742 tors. eta vs tors. theta energy: -56.119 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: 6 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -838.540294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.540294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.540294 (E_RNA) where: Base-Base interactions energy: -428.274 where: short stacking energy: -213.587 Base-Backbone interact. energy: 1.294 local terms energy: -411.560368 where: bonds (distance) C4'-P energy: -131.759 bonds (distance) P-C4' energy: -132.452 flat angles C4'-P-C4' energy: -117.412 flat angles P-C4'-P energy: -51.934 tors. eta vs tors. theta energy: 21.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -667.649543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.649543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.649543 (E_RNA) where: Base-Base interactions energy: -263.654 where: short stacking energy: -179.784 Base-Backbone interact. energy: 0.437 local terms energy: -404.432213 where: bonds (distance) C4'-P energy: -138.424 bonds (distance) P-C4' energy: -133.289 flat angles C4'-P-C4' energy: -108.160 flat angles P-C4'-P energy: -64.519 tors. eta vs tors. theta energy: 39.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -2749.534536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.534536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.534536 (E_RNA) where: Base-Base interactions energy: -1893.853 where: short stacking energy: -807.620 Base-Backbone interact. energy: -2.585 local terms energy: -853.095824 where: bonds (distance) C4'-P energy: -167.547 bonds (distance) P-C4' energy: -136.716 flat angles C4'-P-C4' energy: -195.555 flat angles P-C4'-P energy: -129.191 tors. eta vs tors. theta energy: -224.087 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: 2, replica: 3 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -2597.500160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.500160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.500160 (E_RNA) where: Base-Base interactions energy: -1765.179 where: short stacking energy: -788.403 Base-Backbone interact. energy: -0.805 local terms energy: -831.516793 where: bonds (distance) C4'-P energy: -150.852 bonds (distance) P-C4' energy: -159.533 flat angles C4'-P-C4' energy: -184.230 flat angles P-C4'-P energy: -120.804 tors. eta vs tors. theta energy: -216.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -2583.091683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.091683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.091683 (E_RNA) where: Base-Base interactions energy: -1733.430 where: short stacking energy: -777.433 Base-Backbone interact. energy: 4.382 local terms energy: -854.043214 where: bonds (distance) C4'-P energy: -151.001 bonds (distance) P-C4' energy: -154.439 flat angles C4'-P-C4' energy: -191.822 flat angles P-C4'-P energy: -134.624 tors. eta vs tors. theta energy: -222.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -2349.627846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.627846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.627846 (E_RNA) where: Base-Base interactions energy: -1584.532 where: short stacking energy: -666.080 Base-Backbone interact. energy: 2.991 local terms energy: -768.087057 where: bonds (distance) C4'-P energy: -141.190 bonds (distance) P-C4' energy: -154.776 flat angles C4'-P-C4' energy: -179.879 flat angles P-C4'-P energy: -110.007 tors. eta vs tors. theta energy: -182.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -2271.592975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.592975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.592975 (E_RNA) where: Base-Base interactions energy: -1558.343 where: short stacking energy: -648.941 Base-Backbone interact. energy: -2.223 local terms energy: -711.027194 where: bonds (distance) C4'-P energy: -135.237 bonds (distance) P-C4' energy: -150.509 flat angles C4'-P-C4' energy: -151.647 flat angles P-C4'-P energy: -98.086 tors. eta vs tors. theta energy: -175.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -1915.347889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.347889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.347889 (E_RNA) where: Base-Base interactions energy: -1258.460 where: short stacking energy: -539.295 Base-Backbone interact. energy: -5.663 local terms energy: -651.225522 where: bonds (distance) C4'-P energy: -123.757 bonds (distance) P-C4' energy: -142.750 flat angles C4'-P-C4' energy: -150.102 flat angles P-C4'-P energy: -94.812 tors. eta vs tors. theta energy: -139.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -1646.406966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.406966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.406966 (E_RNA) where: Base-Base interactions energy: -1055.713 where: short stacking energy: -505.690 Base-Backbone interact. energy: -4.260 local terms energy: -586.434017 where: bonds (distance) C4'-P energy: -121.133 bonds (distance) P-C4' energy: -150.481 flat angles C4'-P-C4' energy: -138.148 flat angles P-C4'-P energy: -93.560 tors. eta vs tors. theta energy: -83.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -1216.021455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.021455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.021455 (E_RNA) where: Base-Base interactions energy: -715.405 where: short stacking energy: -348.247 Base-Backbone interact. energy: 2.753 local terms energy: -503.369725 where: bonds (distance) C4'-P energy: -146.615 bonds (distance) P-C4' energy: -130.528 flat angles C4'-P-C4' energy: -138.835 flat angles P-C4'-P energy: -59.634 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: 6 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -852.724558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.724558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.724558 (E_RNA) where: Base-Base interactions energy: -411.382 where: short stacking energy: -270.721 Base-Backbone interact. energy: -0.247 local terms energy: -441.096079 where: bonds (distance) C4'-P energy: -97.764 bonds (distance) P-C4' energy: -123.033 flat angles C4'-P-C4' energy: -140.953 flat angles P-C4'-P energy: -65.065 tors. eta vs tors. theta energy: -14.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -593.367891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.367891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.367891 (E_RNA) where: Base-Base interactions energy: -215.188 where: short stacking energy: -156.781 Base-Backbone interact. energy: 5.482 local terms energy: -383.661406 where: bonds (distance) C4'-P energy: -153.297 bonds (distance) P-C4' energy: -122.714 flat angles C4'-P-C4' energy: -93.548 flat angles P-C4'-P energy: -56.384 tors. eta vs tors. theta energy: 42.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -2769.153602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.153602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.153602 (E_RNA) where: Base-Base interactions energy: -1907.333 where: short stacking energy: -831.786 Base-Backbone interact. energy: -1.922 local terms energy: -859.898115 where: bonds (distance) C4'-P energy: -155.994 bonds (distance) P-C4' energy: -168.147 flat angles C4'-P-C4' energy: -186.129 flat angles P-C4'-P energy: -119.374 tors. eta vs tors. theta energy: -230.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -2630.872984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.872984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.872984 (E_RNA) where: Base-Base interactions energy: -1794.665 where: short stacking energy: -776.245 Base-Backbone interact. energy: 0.244 local terms energy: -836.452035 where: bonds (distance) C4'-P energy: -153.964 bonds (distance) P-C4' energy: -154.807 flat angles C4'-P-C4' energy: -169.159 flat angles P-C4'-P energy: -121.721 tors. eta vs tors. theta energy: -236.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -2558.228024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.228024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.228024 (E_RNA) where: Base-Base interactions energy: -1751.466 where: short stacking energy: -761.977 Base-Backbone interact. energy: -4.984 local terms energy: -801.777545 where: bonds (distance) C4'-P energy: -146.816 bonds (distance) P-C4' energy: -144.338 flat angles C4'-P-C4' energy: -180.893 flat angles P-C4'-P energy: -110.192 tors. eta vs tors. theta energy: -219.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -2355.329167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.329167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.329167 (E_RNA) where: Base-Base interactions energy: -1560.103 where: short stacking energy: -664.361 Base-Backbone interact. energy: -0.730 local terms energy: -794.496129 where: bonds (distance) C4'-P energy: -160.280 bonds (distance) P-C4' energy: -169.279 flat angles C4'-P-C4' energy: -164.208 flat angles P-C4'-P energy: -109.275 tors. eta vs tors. theta energy: -191.453 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: 9 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -2302.361279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.361279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.361279 (E_RNA) where: Base-Base interactions energy: -1588.005 where: short stacking energy: -701.449 Base-Backbone interact. energy: 6.474 local terms energy: -720.830045 where: bonds (distance) C4'-P energy: -130.349 bonds (distance) P-C4' energy: -148.155 flat angles C4'-P-C4' energy: -167.650 flat angles P-C4'-P energy: -96.447 tors. eta vs tors. theta energy: -178.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -1889.071841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.071841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.071841 (E_RNA) where: Base-Base interactions energy: -1209.211 where: short stacking energy: -531.455 Base-Backbone interact. energy: -2.913 local terms energy: -676.947801 where: bonds (distance) C4'-P energy: -134.835 bonds (distance) P-C4' energy: -157.124 flat angles C4'-P-C4' energy: -151.365 flat angles P-C4'-P energy: -109.037 tors. eta vs tors. theta energy: -124.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -1655.311540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.311540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.311540 (E_RNA) where: Base-Base interactions energy: -1016.124 where: short stacking energy: -466.292 Base-Backbone interact. energy: -0.950 local terms energy: -638.238015 where: bonds (distance) C4'-P energy: -152.493 bonds (distance) P-C4' energy: -146.724 flat angles C4'-P-C4' energy: -158.233 flat angles P-C4'-P energy: -84.800 tors. eta vs tors. theta energy: -95.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -1136.501394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.501394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.501394 (E_RNA) where: Base-Base interactions energy: -647.988 where: short stacking energy: -371.885 Base-Backbone interact. energy: 7.823 local terms energy: -496.336760 where: bonds (distance) C4'-P energy: -126.959 bonds (distance) P-C4' energy: -131.704 flat angles C4'-P-C4' energy: -127.287 flat angles P-C4'-P energy: -60.055 tors. eta vs tors. theta energy: -50.333 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: 6 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -844.607729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.607729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.607729 (E_RNA) where: Base-Base interactions energy: -399.357 where: short stacking energy: -250.441 Base-Backbone interact. energy: -1.461 local terms energy: -443.789119 where: bonds (distance) C4'-P energy: -128.998 bonds (distance) P-C4' energy: -144.994 flat angles C4'-P-C4' energy: -129.083 flat angles P-C4'-P energy: -58.785 tors. eta vs tors. theta energy: 18.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -597.671407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.671407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.671407 (E_RNA) where: Base-Base interactions energy: -218.522 where: short stacking energy: -172.994 Base-Backbone interact. energy: -0.105 local terms energy: -379.044955 where: bonds (distance) C4'-P energy: -99.534 bonds (distance) P-C4' energy: -151.546 flat angles C4'-P-C4' energy: -99.461 flat angles P-C4'-P energy: -63.484 tors. eta vs tors. theta energy: 34.980 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: 2 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -2715.892439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.892439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.892439 (E_RNA) where: Base-Base interactions energy: -1850.918 where: short stacking energy: -786.359 Base-Backbone interact. energy: -4.975 local terms energy: -859.999151 where: bonds (distance) C4'-P energy: -165.596 bonds (distance) P-C4' energy: -157.049 flat angles C4'-P-C4' energy: -188.097 flat angles P-C4'-P energy: -130.688 tors. eta vs tors. theta energy: -218.568 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: 3 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -2696.079118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.079118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.079118 (E_RNA) where: Base-Base interactions energy: -1828.602 where: short stacking energy: -807.685 Base-Backbone interact. energy: -0.489 local terms energy: -866.987334 where: bonds (distance) C4'-P energy: -162.657 bonds (distance) P-C4' energy: -159.376 flat angles C4'-P-C4' energy: -186.763 flat angles P-C4'-P energy: -115.841 tors. eta vs tors. theta energy: -242.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -2548.762806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.762806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.762806 (E_RNA) where: Base-Base interactions energy: -1719.313 where: short stacking energy: -777.851 Base-Backbone interact. energy: 3.607 local terms energy: -833.056686 where: bonds (distance) C4'-P energy: -148.745 bonds (distance) P-C4' energy: -162.255 flat angles C4'-P-C4' energy: -175.097 flat angles P-C4'-P energy: -123.678 tors. eta vs tors. theta energy: -223.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -2376.644163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.644163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.644163 (E_RNA) where: Base-Base interactions energy: -1643.087 where: short stacking energy: -705.463 Base-Backbone interact. energy: -2.387 local terms energy: -731.170780 where: bonds (distance) C4'-P energy: -137.180 bonds (distance) P-C4' energy: -157.997 flat angles C4'-P-C4' energy: -152.105 flat angles P-C4'-P energy: -96.551 tors. eta vs tors. theta energy: -187.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -2300.537758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.537758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.537758 (E_RNA) where: Base-Base interactions energy: -1594.684 where: short stacking energy: -692.540 Base-Backbone interact. energy: -2.584 local terms energy: -703.269988 where: bonds (distance) C4'-P energy: -133.338 bonds (distance) P-C4' energy: -137.022 flat angles C4'-P-C4' energy: -159.149 flat angles P-C4'-P energy: -99.154 tors. eta vs tors. theta energy: -174.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -1881.075313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.075313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.075313 (E_RNA) where: Base-Base interactions energy: -1234.582 where: short stacking energy: -551.583 Base-Backbone interact. energy: -1.987 local terms energy: -644.506364 where: bonds (distance) C4'-P energy: -117.234 bonds (distance) P-C4' energy: -151.760 flat angles C4'-P-C4' energy: -146.596 flat angles P-C4'-P energy: -96.959 tors. eta vs tors. theta energy: -131.957 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: 7 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -1600.786757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.786757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.786757 (E_RNA) where: Base-Base interactions energy: -988.554 where: short stacking energy: -465.917 Base-Backbone interact. energy: 1.246 local terms energy: -613.479111 where: bonds (distance) C4'-P energy: -136.357 bonds (distance) P-C4' energy: -146.343 flat angles C4'-P-C4' energy: -138.177 flat angles P-C4'-P energy: -98.767 tors. eta vs tors. theta energy: -93.836 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: 8 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -1215.923319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.923319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.923319 (E_RNA) where: Base-Base interactions energy: -682.620 where: short stacking energy: -360.107 Base-Backbone interact. energy: 0.682 local terms energy: -533.985938 where: bonds (distance) C4'-P energy: -133.842 bonds (distance) P-C4' energy: -130.928 flat angles C4'-P-C4' energy: -121.550 flat angles P-C4'-P energy: -92.723 tors. eta vs tors. theta energy: -54.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -846.990142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.990142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.990142 (E_RNA) where: Base-Base interactions energy: -400.533 where: short stacking energy: -207.975 Base-Backbone interact. energy: 0.814 local terms energy: -447.271479 where: bonds (distance) C4'-P energy: -131.967 bonds (distance) P-C4' energy: -155.410 flat angles C4'-P-C4' energy: -105.097 flat angles P-C4'-P energy: -68.110 tors. eta vs tors. theta energy: 13.312 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: 10 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -615.494762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.494762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.494762 (E_RNA) where: Base-Base interactions energy: -241.001 where: short stacking energy: -203.310 Base-Backbone interact. energy: 0.700 local terms energy: -375.193767 where: bonds (distance) C4'-P energy: -136.609 bonds (distance) P-C4' energy: -102.953 flat angles C4'-P-C4' energy: -106.054 flat angles P-C4'-P energy: -59.552 tors. eta vs tors. theta energy: 29.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -2732.730451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.730451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.730451 (E_RNA) where: Base-Base interactions energy: -1845.787 where: short stacking energy: -776.419 Base-Backbone interact. energy: -5.109 local terms energy: -881.834285 where: bonds (distance) C4'-P energy: -163.684 bonds (distance) P-C4' energy: -178.197 flat angles C4'-P-C4' energy: -196.002 flat angles P-C4'-P energy: -118.800 tors. eta vs tors. theta energy: -225.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -2674.193154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.193154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.193154 (E_RNA) where: Base-Base interactions energy: -1845.050 where: short stacking energy: -788.425 Base-Backbone interact. energy: -4.402 local terms energy: -824.741500 where: bonds (distance) C4'-P energy: -149.500 bonds (distance) P-C4' energy: -159.161 flat angles C4'-P-C4' energy: -179.620 flat angles P-C4'-P energy: -112.113 tors. eta vs tors. theta energy: -224.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -2560.100769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.100769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.100769 (E_RNA) where: Base-Base interactions energy: -1731.209 where: short stacking energy: -766.726 Base-Backbone interact. energy: -1.657 local terms energy: -827.235177 where: bonds (distance) C4'-P energy: -143.708 bonds (distance) P-C4' energy: -162.314 flat angles C4'-P-C4' energy: -184.624 flat angles P-C4'-P energy: -117.296 tors. eta vs tors. theta energy: -219.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -2302.006470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.006470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.006470 (E_RNA) where: Base-Base interactions energy: -1572.893 where: short stacking energy: -662.083 Base-Backbone interact. energy: -5.579 local terms energy: -723.534513 where: bonds (distance) C4'-P energy: -136.615 bonds (distance) P-C4' energy: -162.972 flat angles C4'-P-C4' energy: -156.678 flat angles P-C4'-P energy: -115.009 tors. eta vs tors. theta energy: -152.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -2280.794338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.794338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.794338 (E_RNA) where: Base-Base interactions energy: -1575.073 where: short stacking energy: -684.518 Base-Backbone interact. energy: 3.638 local terms energy: -709.359381 where: bonds (distance) C4'-P energy: -142.296 bonds (distance) P-C4' energy: -143.010 flat angles C4'-P-C4' energy: -151.734 flat angles P-C4'-P energy: -95.952 tors. eta vs tors. theta energy: -176.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -1944.134719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.134719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.134719 (E_RNA) where: Base-Base interactions energy: -1279.768 where: short stacking energy: -576.020 Base-Backbone interact. energy: 0.373 local terms energy: -664.739643 where: bonds (distance) C4'-P energy: -138.101 bonds (distance) P-C4' energy: -157.535 flat angles C4'-P-C4' energy: -143.419 flat angles P-C4'-P energy: -93.105 tors. eta vs tors. theta energy: -132.579 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: 7 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -1614.909826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.909826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.909826 (E_RNA) where: Base-Base interactions energy: -1015.070 where: short stacking energy: -454.087 Base-Backbone interact. energy: -5.293 local terms energy: -594.546606 where: bonds (distance) C4'-P energy: -130.376 bonds (distance) P-C4' energy: -148.047 flat angles C4'-P-C4' energy: -139.824 flat angles P-C4'-P energy: -92.785 tors. eta vs tors. theta energy: -83.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -1218.216842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.216842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.216842 (E_RNA) where: Base-Base interactions energy: -649.058 where: short stacking energy: -338.979 Base-Backbone interact. energy: -1.061 local terms energy: -568.097946 where: bonds (distance) C4'-P energy: -141.181 bonds (distance) P-C4' energy: -147.390 flat angles C4'-P-C4' energy: -156.647 flat angles P-C4'-P energy: -76.451 tors. eta vs tors. theta energy: -46.428 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: 6 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -857.517205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.517205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.517205 (E_RNA) where: Base-Base interactions energy: -411.012 where: short stacking energy: -239.534 Base-Backbone interact. energy: 0.187 local terms energy: -446.692116 where: bonds (distance) C4'-P energy: -121.919 bonds (distance) P-C4' energy: -149.157 flat angles C4'-P-C4' energy: -122.582 flat angles P-C4'-P energy: -65.578 tors. eta vs tors. theta energy: 12.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -619.804226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.804226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.804226 (E_RNA) where: Base-Base interactions energy: -240.412 where: short stacking energy: -189.850 Base-Backbone interact. energy: 6.829 local terms energy: -386.221378 where: bonds (distance) C4'-P energy: -116.949 bonds (distance) P-C4' energy: -112.275 flat angles C4'-P-C4' energy: -115.132 flat angles P-C4'-P energy: -74.745 tors. eta vs tors. theta energy: 32.880 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: 1, replica: 2 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -2752.335424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.335424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.335424 (E_RNA) where: Base-Base interactions energy: -1893.127 where: short stacking energy: -793.905 Base-Backbone interact. energy: -3.471 local terms energy: -855.737655 where: bonds (distance) C4'-P energy: -151.082 bonds (distance) P-C4' energy: -172.222 flat angles C4'-P-C4' energy: -190.139 flat angles P-C4'-P energy: -119.728 tors. eta vs tors. theta energy: -222.567 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: 3 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -2709.398809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.398809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.398809 (E_RNA) where: Base-Base interactions energy: -1835.685 where: short stacking energy: -823.375 Base-Backbone interact. energy: -5.057 local terms energy: -868.656692 where: bonds (distance) C4'-P energy: -156.680 bonds (distance) P-C4' energy: -171.816 flat angles C4'-P-C4' energy: -192.683 flat angles P-C4'-P energy: -120.983 tors. eta vs tors. theta energy: -226.495 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: 3, replica: 1 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -2553.487728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.487728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.487728 (E_RNA) where: Base-Base interactions energy: -1766.829 where: short stacking energy: -763.531 Base-Backbone interact. energy: -0.868 local terms energy: -785.790437 where: bonds (distance) C4'-P energy: -141.350 bonds (distance) P-C4' energy: -141.171 flat angles C4'-P-C4' energy: -183.682 flat angles P-C4'-P energy: -114.280 tors. eta vs tors. theta energy: -205.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -2334.102077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.102077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.102077 (E_RNA) where: Base-Base interactions energy: -1560.481 where: short stacking energy: -670.759 Base-Backbone interact. energy: 1.331 local terms energy: -774.951915 where: bonds (distance) C4'-P energy: -145.153 bonds (distance) P-C4' energy: -147.487 flat angles C4'-P-C4' energy: -174.602 flat angles P-C4'-P energy: -124.196 tors. eta vs tors. theta energy: -183.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -2222.360101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.360101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.360101 (E_RNA) where: Base-Base interactions energy: -1487.618 where: short stacking energy: -654.774 Base-Backbone interact. energy: -2.556 local terms energy: -732.186089 where: bonds (distance) C4'-P energy: -141.118 bonds (distance) P-C4' energy: -151.284 flat angles C4'-P-C4' energy: -158.048 flat angles P-C4'-P energy: -108.713 tors. eta vs tors. theta energy: -173.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -1920.461063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.461063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.461063 (E_RNA) where: Base-Base interactions energy: -1244.680 where: short stacking energy: -565.559 Base-Backbone interact. energy: -3.745 local terms energy: -672.036014 where: bonds (distance) C4'-P energy: -142.421 bonds (distance) P-C4' energy: -140.858 flat angles C4'-P-C4' energy: -142.284 flat angles P-C4'-P energy: -110.894 tors. eta vs tors. theta energy: -135.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -1580.109331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.109331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.109331 (E_RNA) where: Base-Base interactions energy: -982.013 where: short stacking energy: -421.110 Base-Backbone interact. energy: 0.671 local terms energy: -598.767555 where: bonds (distance) C4'-P energy: -148.328 bonds (distance) P-C4' energy: -126.107 flat angles C4'-P-C4' energy: -143.624 flat angles P-C4'-P energy: -87.417 tors. eta vs tors. theta energy: -93.292 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: 8, replica: 8 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -1167.821012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.821012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.821012 (E_RNA) where: Base-Base interactions energy: -664.225 where: short stacking energy: -336.438 Base-Backbone interact. energy: -3.076 local terms energy: -500.519212 where: bonds (distance) C4'-P energy: -145.288 bonds (distance) P-C4' energy: -144.977 flat angles C4'-P-C4' energy: -123.228 flat angles P-C4'-P energy: -57.554 tors. eta vs tors. theta energy: -29.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -829.041602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.041602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.041602 (E_RNA) where: Base-Base interactions energy: -382.193 where: short stacking energy: -240.391 Base-Backbone interact. energy: 1.410 local terms energy: -448.258489 where: bonds (distance) C4'-P energy: -134.566 bonds (distance) P-C4' energy: -134.880 flat angles C4'-P-C4' energy: -113.772 flat angles P-C4'-P energy: -78.573 tors. eta vs tors. theta energy: 13.533 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: 10 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -655.269212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.269212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.269212 (E_RNA) where: Base-Base interactions energy: -256.273 where: short stacking energy: -186.761 Base-Backbone interact. energy: 3.384 local terms energy: -402.380416 where: bonds (distance) C4'-P energy: -130.129 bonds (distance) P-C4' energy: -143.473 flat angles C4'-P-C4' energy: -91.847 flat angles P-C4'-P energy: -54.765 tors. eta vs tors. theta energy: 17.835 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: 1, replica: 2 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -2752.527845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.527845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.527845 (E_RNA) where: Base-Base interactions energy: -1908.752 where: short stacking energy: -829.317 Base-Backbone interact. energy: -2.471 local terms energy: -841.305230 where: bonds (distance) C4'-P energy: -142.956 bonds (distance) P-C4' energy: -172.958 flat angles C4'-P-C4' energy: -172.200 flat angles P-C4'-P energy: -129.004 tors. eta vs tors. theta energy: -224.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -2674.129806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.129806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.129806 (E_RNA) where: Base-Base interactions energy: -1842.291 where: short stacking energy: -810.200 Base-Backbone interact. energy: -2.407 local terms energy: -829.432200 where: bonds (distance) C4'-P energy: -150.715 bonds (distance) P-C4' energy: -157.683 flat angles C4'-P-C4' energy: -181.402 flat angles P-C4'-P energy: -113.427 tors. eta vs tors. theta energy: -226.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -2581.216383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.216383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.216383 (E_RNA) where: Base-Base interactions energy: -1807.858 where: short stacking energy: -765.004 Base-Backbone interact. energy: -2.516 local terms energy: -770.842059 where: bonds (distance) C4'-P energy: -137.025 bonds (distance) P-C4' energy: -147.106 flat angles C4'-P-C4' energy: -171.995 flat angles P-C4'-P energy: -103.738 tors. eta vs tors. theta energy: -210.979 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: 4 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -2300.278423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.278423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.278423 (E_RNA) where: Base-Base interactions energy: -1528.261 where: short stacking energy: -692.887 Base-Backbone interact. energy: -3.079 local terms energy: -768.938001 where: bonds (distance) C4'-P energy: -144.516 bonds (distance) P-C4' energy: -162.257 flat angles C4'-P-C4' energy: -179.207 flat angles P-C4'-P energy: -106.605 tors. eta vs tors. theta energy: -176.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -2223.392326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.392326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.392326 (E_RNA) where: Base-Base interactions energy: -1515.808 where: short stacking energy: -671.979 Base-Backbone interact. energy: -5.065 local terms energy: -702.519277 where: bonds (distance) C4'-P energy: -129.351 bonds (distance) P-C4' energy: -130.730 flat angles C4'-P-C4' energy: -170.000 flat angles P-C4'-P energy: -85.043 tors. eta vs tors. theta energy: -187.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -1944.945704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.945704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.945704 (E_RNA) where: Base-Base interactions energy: -1281.347 where: short stacking energy: -572.104 Base-Backbone interact. energy: -4.162 local terms energy: -659.437582 where: bonds (distance) C4'-P energy: -144.881 bonds (distance) P-C4' energy: -125.648 flat angles C4'-P-C4' energy: -146.795 flat angles P-C4'-P energy: -102.960 tors. eta vs tors. theta energy: -139.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -1625.074291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.074291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.074291 (E_RNA) where: Base-Base interactions energy: -1042.682 where: short stacking energy: -476.721 Base-Backbone interact. energy: -3.075 local terms energy: -579.318153 where: bonds (distance) C4'-P energy: -127.875 bonds (distance) P-C4' energy: -145.660 flat angles C4'-P-C4' energy: -136.975 flat angles P-C4'-P energy: -80.446 tors. eta vs tors. theta energy: -88.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -1160.934958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.934958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.934958 (E_RNA) where: Base-Base interactions energy: -638.285 where: short stacking energy: -322.460 Base-Backbone interact. energy: -1.877 local terms energy: -520.772594 where: bonds (distance) C4'-P energy: -141.990 bonds (distance) P-C4' energy: -125.291 flat angles C4'-P-C4' energy: -140.427 flat angles P-C4'-P energy: -73.702 tors. eta vs tors. theta energy: -39.364 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: 6 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -941.536393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.536393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.536393 (E_RNA) where: Base-Base interactions energy: -471.415 where: short stacking energy: -267.368 Base-Backbone interact. energy: -1.084 local terms energy: -469.037154 where: bonds (distance) C4'-P energy: -106.039 bonds (distance) P-C4' energy: -143.451 flat angles C4'-P-C4' energy: -122.830 flat angles P-C4'-P energy: -81.305 tors. eta vs tors. theta energy: -15.411 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: 10, replica: 10 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -623.975465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.975465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.975465 (E_RNA) where: Base-Base interactions energy: -214.233 where: short stacking energy: -156.579 Base-Backbone interact. energy: -3.285 local terms energy: -406.458057 where: bonds (distance) C4'-P energy: -116.320 bonds (distance) P-C4' energy: -116.638 flat angles C4'-P-C4' energy: -115.231 flat angles P-C4'-P energy: -70.175 tors. eta vs tors. theta energy: 11.907 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: 2 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -2750.057214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.057214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.057214 (E_RNA) where: Base-Base interactions energy: -1867.893 where: short stacking energy: -824.251 Base-Backbone interact. energy: -4.465 local terms energy: -877.699127 where: bonds (distance) C4'-P energy: -148.559 bonds (distance) P-C4' energy: -173.588 flat angles C4'-P-C4' energy: -191.965 flat angles P-C4'-P energy: -128.875 tors. eta vs tors. theta energy: -234.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -2711.621264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.621264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.621264 (E_RNA) where: Base-Base interactions energy: -1876.683 where: short stacking energy: -810.837 Base-Backbone interact. energy: 0.864 local terms energy: -835.801775 where: bonds (distance) C4'-P energy: -139.095 bonds (distance) P-C4' energy: -154.390 flat angles C4'-P-C4' energy: -186.976 flat angles P-C4'-P energy: -116.940 tors. eta vs tors. theta energy: -238.401 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: 1 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -2571.996259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.996259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.996259 (E_RNA) where: Base-Base interactions energy: -1732.495 where: short stacking energy: -762.487 Base-Backbone interact. energy: -0.673 local terms energy: -838.828035 where: bonds (distance) C4'-P energy: -146.602 bonds (distance) P-C4' energy: -154.937 flat angles C4'-P-C4' energy: -177.753 flat angles P-C4'-P energy: -133.690 tors. eta vs tors. theta energy: -225.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -2303.146722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.146722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.146722 (E_RNA) where: Base-Base interactions energy: -1565.626 where: short stacking energy: -683.386 Base-Backbone interact. energy: 4.378 local terms energy: -741.898257 where: bonds (distance) C4'-P energy: -140.371 bonds (distance) P-C4' energy: -139.318 flat angles C4'-P-C4' energy: -161.478 flat angles P-C4'-P energy: -121.992 tors. eta vs tors. theta energy: -178.739 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: 9 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -2235.911534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.911534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.911534 (E_RNA) where: Base-Base interactions energy: -1533.754 where: short stacking energy: -685.641 Base-Backbone interact. energy: 0.694 local terms energy: -702.851979 where: bonds (distance) C4'-P energy: -132.332 bonds (distance) P-C4' energy: -134.089 flat angles C4'-P-C4' energy: -161.019 flat angles P-C4'-P energy: -96.414 tors. eta vs tors. theta energy: -178.997 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: 6, replica: 5 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -1929.563779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.563779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.563779 (E_RNA) where: Base-Base interactions energy: -1253.486 where: short stacking energy: -533.012 Base-Backbone interact. energy: -4.565 local terms energy: -671.512335 where: bonds (distance) C4'-P energy: -128.112 bonds (distance) P-C4' energy: -156.908 flat angles C4'-P-C4' energy: -156.307 flat angles P-C4'-P energy: -97.115 tors. eta vs tors. theta energy: -133.070 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: 500 Temperature: 1.200000 Total energy: -1643.292347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.292347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.292347 (E_RNA) where: Base-Base interactions energy: -1038.129 where: short stacking energy: -450.832 Base-Backbone interact. energy: -0.245 local terms energy: -604.918407 where: bonds (distance) C4'-P energy: -132.638 bonds (distance) P-C4' energy: -149.345 flat angles C4'-P-C4' energy: -152.606 flat angles P-C4'-P energy: -83.729 tors. eta vs tors. theta energy: -86.601 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: 8 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -1183.436041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.436041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.436041 (E_RNA) where: Base-Base interactions energy: -664.549 where: short stacking energy: -355.316 Base-Backbone interact. energy: 0.798 local terms energy: -519.684894 where: bonds (distance) C4'-P energy: -130.201 bonds (distance) P-C4' energy: -134.653 flat angles C4'-P-C4' energy: -140.690 flat angles P-C4'-P energy: -60.641 tors. eta vs tors. theta energy: -53.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -993.612912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.612912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.612912 (E_RNA) where: Base-Base interactions energy: -529.015 where: short stacking energy: -279.811 Base-Backbone interact. energy: -0.384 local terms energy: -464.213158 where: bonds (distance) C4'-P energy: -113.192 bonds (distance) P-C4' energy: -154.859 flat angles C4'-P-C4' energy: -115.464 flat angles P-C4'-P energy: -83.653 tors. eta vs tors. theta energy: 2.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -615.451895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.451895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.451895 (E_RNA) where: Base-Base interactions energy: -204.087 where: short stacking energy: -178.320 Base-Backbone interact. energy: 2.911 local terms energy: -414.276078 where: bonds (distance) C4'-P energy: -131.882 bonds (distance) P-C4' energy: -131.496 flat angles C4'-P-C4' energy: -102.991 flat angles P-C4'-P energy: -69.945 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: 2 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -2762.045012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.045012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.045012 (E_RNA) where: Base-Base interactions energy: -1896.060 where: short stacking energy: -814.132 Base-Backbone interact. energy: -1.974 local terms energy: -864.010744 where: bonds (distance) C4'-P energy: -166.160 bonds (distance) P-C4' energy: -166.839 flat angles C4'-P-C4' energy: -175.334 flat angles P-C4'-P energy: -132.501 tors. eta vs tors. theta energy: -223.177 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: 3 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -2710.142440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.142440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.142440 (E_RNA) where: Base-Base interactions energy: -1875.935 where: short stacking energy: -814.509 Base-Backbone interact. energy: -6.124 local terms energy: -828.084148 where: bonds (distance) C4'-P energy: -159.490 bonds (distance) P-C4' energy: -149.835 flat angles C4'-P-C4' energy: -176.154 flat angles P-C4'-P energy: -111.308 tors. eta vs tors. theta energy: -231.297 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: 1 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -2619.165326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.165326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.165326 (E_RNA) where: Base-Base interactions energy: -1775.774 where: short stacking energy: -789.092 Base-Backbone interact. energy: 0.361 local terms energy: -843.752091 where: bonds (distance) C4'-P energy: -158.616 bonds (distance) P-C4' energy: -150.870 flat angles C4'-P-C4' energy: -170.992 flat angles P-C4'-P energy: -137.248 tors. eta vs tors. theta energy: -226.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -2336.768655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.768655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.768655 (E_RNA) where: Base-Base interactions energy: -1568.503 where: short stacking energy: -698.379 Base-Backbone interact. energy: -2.475 local terms energy: -765.790580 where: bonds (distance) C4'-P energy: -136.391 bonds (distance) P-C4' energy: -149.151 flat angles C4'-P-C4' energy: -175.393 flat angles P-C4'-P energy: -110.712 tors. eta vs tors. theta energy: -194.143 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: 9 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -2189.670652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.670652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.670652 (E_RNA) where: Base-Base interactions energy: -1464.648 where: short stacking energy: -623.570 Base-Backbone interact. energy: -3.204 local terms energy: -721.818329 where: bonds (distance) C4'-P energy: -142.415 bonds (distance) P-C4' energy: -144.948 flat angles C4'-P-C4' energy: -167.645 flat angles P-C4'-P energy: -99.034 tors. eta vs tors. theta energy: -167.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -1912.476673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.476673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.476673 (E_RNA) where: Base-Base interactions energy: -1244.514 where: short stacking energy: -531.584 Base-Backbone interact. energy: -4.630 local terms energy: -663.332133 where: bonds (distance) C4'-P energy: -136.107 bonds (distance) P-C4' energy: -151.660 flat angles C4'-P-C4' energy: -164.509 flat angles P-C4'-P energy: -84.016 tors. eta vs tors. theta energy: -127.039 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: 7 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -1621.649460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.649460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.649460 (E_RNA) where: Base-Base interactions energy: -1005.007 where: short stacking energy: -478.108 Base-Backbone interact. energy: -3.563 local terms energy: -613.080190 where: bonds (distance) C4'-P energy: -151.465 bonds (distance) P-C4' energy: -135.488 flat angles C4'-P-C4' energy: -132.445 flat angles P-C4'-P energy: -92.099 tors. eta vs tors. theta energy: -101.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -1177.188972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.188972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.188972 (E_RNA) where: Base-Base interactions energy: -663.814 where: short stacking energy: -317.136 Base-Backbone interact. energy: -3.301 local terms energy: -510.073492 where: bonds (distance) C4'-P energy: -145.338 bonds (distance) P-C4' energy: -133.874 flat angles C4'-P-C4' energy: -119.171 flat angles P-C4'-P energy: -75.309 tors. eta vs tors. theta energy: -36.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -1022.359085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.359085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.359085 (E_RNA) where: Base-Base interactions energy: -517.693 where: short stacking energy: -270.664 Base-Backbone interact. energy: 0.342 local terms energy: -505.007889 where: bonds (distance) C4'-P energy: -132.005 bonds (distance) P-C4' energy: -160.683 flat angles C4'-P-C4' energy: -130.517 flat angles P-C4'-P energy: -67.123 tors. eta vs tors. theta energy: -14.681 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: 10 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -611.391710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.391710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.391710 (E_RNA) where: Base-Base interactions energy: -223.424 where: short stacking energy: -149.982 Base-Backbone interact. energy: -2.192 local terms energy: -385.776078 where: bonds (distance) C4'-P energy: -127.811 bonds (distance) P-C4' energy: -132.809 flat angles C4'-P-C4' energy: -97.719 flat angles P-C4'-P energy: -70.629 tors. eta vs tors. theta energy: 43.191 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) replica 3 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 134890483 moves confirmed later: 145773126 all moves confirmed: 280663609 percent of confirmed moves: 35.082951 current total energy: -2623.955119 recalc. total energy: -2623.955119 replica 2 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 164284879 moves confirmed later: 184069402 all moves confirmed: 348354281 percent of confirmed moves: 43.544285 current total energy: -2608.970168 recalc. total energy: -2608.970168 replica 1 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 160305481 moves confirmed later: 178867259 all moves confirmed: 339172740 percent of confirmed moves: 42.396592 current total energy: -2419.683713 recalc. total energy: -2419.683713 replica 4 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 193560757 moves confirmed later: 222418676 all moves confirmed: 415979433 percent of confirmed moves: 51.997429 current total energy: -2181.888767 recalc. total energy: -2181.888767 replica 9 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 171786477 moves confirmed later: 194535338 all moves confirmed: 366321815 percent of confirmed moves: 45.790227 current total energy: -2000.253138 recalc. total energy: -2000.253138 replica 5 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 197446457 moves confirmed later: 227005475 all moves confirmed: 424451932 percent of confirmed moves: 53.056491 current total energy: -1828.925300 recalc. total energy: -1828.925300 replica 7 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 279223317 moves confirmed later: 333811151 all moves confirmed: 613034468 percent of confirmed moves: 76.629308 current total energy: -1499.062102 recalc. total energy: -1499.062102 replica 8 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 267387105 moves confirmed later: 318306317 all moves confirmed: 585693422 percent of confirmed moves: 73.211678 current total energy: -994.740459 recalc. total energy: -994.740459 replica 6 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 209416705 moves confirmed later: 242156929 all moves confirmed: 451573634 percent of confirmed moves: 56.446704 current total energy: -660.077776 recalc. total energy: -660.077776 replica 10 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 285926706 moves confirmed later: 342153566 all moves confirmed: 628080272 percent of confirmed moves: 78.510034 current total energy: -523.570971 recalc. total energy: -523.570971 out arg RESULTS//1/Faculty_memebr-3aa2ae38_01 Time of doing 8000000 iterations: 33970.691 seconds